SCHEMBL658146

SCHEMBL658146

Cc1cccc(N(C)N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.50
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33

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
SCHEMBL3582555 0.84 CD44 (0.52) CD44TSHRACHECYP3A4TDP1
Hydrochloric Acid SCHEMBL3383979 0.82 CD44 (0.50) CD44TSHRACHECYP3A4TDP1
SCHEMBL11181553 0.79 TRPA1 (0.41) CD44TSHRACHECYP3A4TDP1
SCHEMBL3520282 0.78 SIGMAR1 (0.46) CD44TSHRACHECYP3A4TDP1
SCHEMBL20289896 0.77 CD44 (0.45) CD44TSHRACHECYP3A4TDP1
Hydrochloric Acid SCHEMBL11560306 0.76 SIGMAR1 (0.44) TSHRACHECYP3A4TDP1SIGMAR1
SCHEMBL22564069 0.76 CD44 (0.33) CD44TSHRACHECYP3A4TDP1
SCHEMBL28074701 0.75 CD44 (0.43) CD44TSHRACHECYP3A4TDP1
SCHEMBL16776729 0.74 CD44 (0.72) CD44TSHRACHECYP3A4TDP1
SCHEMBL106244 0.74

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 73 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-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-9913842-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 US disclosed
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2017-08-31 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-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
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP 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
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO 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 (14 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-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
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 CD44 2300/4885TSHR 1960/4885ACHE 1840/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A CD44 588/4885TSHR 1104/4885ACHE 1323/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CD44 1635/4885TSHR 1524/4885ACHE 1059/4885
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 CD44 1691/4885TSHR 696/4885ACHE 771/4885
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 CD44 758/4885TSHR 1386/4885ACHE 871/4885

“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.