SCHEMBL4002797

SCHEMBL4002797

Nc1cccc(Nc2nccc(-c3cccc(NC(=O)c4ccccn4)c3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.74
BCR P11274 11/20 0.74
SRC P12931 8/20 0.74
EGFR P00533 2/20 0.62
PRKACA P17612 1/20 0.62
PRKACG P22612 1/20 0.62
PRKACB P22694 1/20 0.62
CAMK2D Q13557 1/20 0.61
ABL2 P42684 1/20 0.60
PDGFRB P09619 6/20 0.58
PDGFRA P16234 6/20 0.58
PRKCA P17252 4/20 0.58
PRKCD Q05655 3/20 0.58
PRKD3 O94806 1/20 0.58
PRKCG P05129 1/20 0.58
PRKCB P05771 1/20 0.58
PRKCH P24723 1/20 0.58
PRKCI P41743 1/20 0.58
PRKCE Q02156 1/20 0.58
PRKCQ Q04759 1/20 0.58

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
SCHEMBL1442 0.85 ABL1 (1.00) ABL1BCRSRCEGFRPRKACA
SCHEMBL4003048 0.84 ABL1 (0.60) ABL1BCRSRCEGFRPRKACA
SCHEMBL2941787 0.83 ABL1 (0.75) ABL1BCRSRCEGFRPRKACA
SCHEMBL4002795 0.83 GRM4 (0.53) ABL1BCRSRCMAPK8JAK2
SCHEMBL823915 0.82 CAMK2D (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL3087891 0.82 GRM4 (0.70) EGFR
SCHEMBL4386919 0.81 ABL1 (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL3012944 0.80 ABL1 (0.70) ABL1BCRSRCEGFRPRKACA
SCHEMBL14530851 0.79 PLK1 (0.75) ABL1BCRSRCEGFRPRKACA
SCHEMBL27444270 0.78 PLK1 (0.78) ABL1BCRSRCEGFRPRKACA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 CN claimed
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP claimed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US claimed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO claimed
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 CN disclosed
EP-2069314-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2008033834-A1 PYRIMIDINES DERIVATIVES AND THEIR USE AS KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (1 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-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, TK1 ABL1 131/4885BCR 35/4885SRC 146/4885

“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.