SCHEMBL654875

SCHEMBL654875

CN1C=COc2cc(N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL656129 0.85 MAPT (0.35) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL29935680 0.72 SMN1; SMN2 (0.33) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1008707 0.66 MAPT (0.48) KDRMAPTALDH1A1KDM4EMEN1
SCHEMBL29709882 0.66 MAPT (0.48) KDRMAPTALDH1A1KDM4EMEN1
SCHEMBL28875503 0.64 MAPT (0.39) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL19053826 0.63 CHRNB4 (0.39) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL28682903 0.63 MEN1 (0.41) CHEK1AURKADAPK3JAK2PRKD3
SCHEMBL15651835 0.63
SCHEMBL3582361 0.62 CYP11B1 (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6765366 0.62 CHEK1 (0.44) CHEK1AURKADAPK3JAK2PRKD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (18 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CHEK1 346/4885AURKA 716/4885DAPK3 496/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT CHEK1 1601/4885AURKA 1221/4885DAPK3 1195/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A CHEK1 1899/4885AURKA 962/4885DAPK3 483/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A CHEK1 2788/4885AURKA 1583/4885DAPK3 1432/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A CHEK1 2535/4885AURKA 3432/4885DAPK3 332/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHEK1 1320/4885AURKA 997/4885DAPK3 381/4885
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine HRH4, FCER2, HRH2 CHEK1 1376/4885AURKA 581/4885DAPK3 853/4885
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A CHEK1 1899/4885AURKA 962/4885DAPK3 483/4885
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade SYK, FCER2, FCGR1A CHEK1 1915/4885AURKA 485/4885DAPK3 74/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CHEK1 324/4885AURKA 640/4885DAPK3 467/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.