SCHEMBL4003528

SCHEMBL4003528

COc1ccc(-c2ccnc(Nc3cccc(N)c3)n2)cc1NC(=O)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.58
SRC P12931 3/20 0.58
PDGFRB P09619 2/20 0.58
PDGFRA P16234 2/20 0.58
MAPT P10636 3/20 0.55
CDK5 Q00535 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 2/20 0.51
BCR P11274 8/20 0.50
EGFR P00533 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CDK5R1 Q15078 1/20 0.48
PRKACA P17612 1/20 0.48

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
SCHEMBL4000628 0.85 ABL1 (0.69) ABL1SRCPDGFRBPDGFRAMAPT
SCHEMBL2941787 0.85 ABL1 (0.75) ABL1SRCPDGFRBPDGFRAMAPT
SCHEMBL27771353 0.84 ABL1 (0.59) ABL1SRCPDGFRBPDGFRAMAPT
SCHEMBL5465340 0.81 ALDH1A1 (0.61) ABL1SRCPDGFRBPDGFRAMAPT
SCHEMBL8353979 0.80 CDK5 (0.58) ABL1SRCPDGFRBPDGFRAMAPT
SCHEMBL4901211 0.79 CDK5 (0.75) ABL1SRCCDK5MEN1KMT2A
SCHEMBL12801118 0.78 CDK5 (0.73) ABL1SRCCDK5MEN1KMT2A
SCHEMBL4002108 0.75 ABL1 (0.71) ABL1SRCPDGFRBPDGFRAALDH1A1
SCHEMBL5465964 0.74 RAB9A (0.60) ABL1SRCPDGFRBPDGFRAMAPT
SCHEMBL5472432 0.74 RAB9A (0.65) ABL1SRCPDGFRBPDGFRAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 131/4885SRC 146/4885PDGFRB 741/4885

“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.