SCHEMBL656617

SCHEMBL656617

COC(=O)c1cc(Nc2nc(Cl)ncc2F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 14/20 0.50
ATF1 P18846 8/20 0.50
NOTUM Q6P988 1/20 0.45
JUN P05412 7/20 0.45
NFKB2 Q00653 7/20 0.45
RELA Q04206 7/20 0.45
XPO1 O14980 3/20 0.45
TRPV1 Q8NER1 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EGFR P00533 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL23113281 0.86 NFKB1 (0.55) NFKB1ATF1JUNNFKB2RELA
SCHEMBL657647 0.81 HDAC3 (0.48) NFKB1ATF1JUNNFKB2RELA
SCHEMBL12519774 0.81 MAPK1 (0.54) MAPK1EGFRITK
SCHEMBL656366 0.79 SYK (0.63) EGFRITK
SCHEMBL658303 0.73 CTSC (0.57)
SCHEMBL23113687 0.73 CAMK1D (0.62) NFKB1ATF1JUNNFKB2RELA
SCHEMBL657188 0.73 P2RX3 (0.39) EGFRITK
SCHEMBL655376 0.73 AURKA (0.49) NFKB1ATF1TRPV1L3MBTL1EGFR
SCHEMBL656445 0.72 SYK (0.56) EGFRITK
SCHEMBL655426 0.72 BCL6 (0.52) EGFRITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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
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
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US 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 NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT NFKB1 439/4885ATF1 2143/4885NOTUM 2053/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
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 NFKB1 935/4885ATF1 2734/4885NOTUM 2707/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A NFKB1 168/4885ATF1 964/4885NOTUM 3182/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A NFKB1 774/4885ATF1 2920/4885NOTUM 2472/4885
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 NFKB1 416/4885ATF1 3595/4885NOTUM 2245/4885
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 NFKB1 424/4885ATF1 1906/4885NOTUM 2809/4885

“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.