SCHEMBL4003596

SCHEMBL4003596

Cc1c(C(N)=O)cccc1-c1ccnc(Nc2ccc(C(=O)N3CCC(C)CC3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
IKBKB O14920 9/20 0.49
CHUK O15111 9/20 0.49
IKBKG Q9Y6K9 9/20 0.49
SYK P43405 2/20 0.48
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
PRKCZ Q05513 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CDK1 P06493 3/20 0.46
CDK2 P24941 3/20 0.46
PARP1 P09874 2/20 0.45
MTOR P42345 1/20 0.45
SMG1 Q96Q15 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
CDK4 P11802 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL4000785 0.93 BTK (0.54) BTKIKBKBCHUKIKBKGSYK
SCHEMBL4000801 0.91 BTK (0.57) BTKIKBKBCHUKIKBKGSYK
SCHEMBL4003456 0.90 BTK (0.56) BTKIKBKBCHUKIKBKGSYK
SCHEMBL3999651 0.90 BTK (0.51) BTKIKBKBCHUKIKBKGSYK
SCHEMBL4987511 0.89 BTK (0.55) BTKIKBKBCHUKIKBKGMEN1
SCHEMBL4007822 0.89 BTK (0.68) BTKSYKCDK1CDK2MAPK10
SCHEMBL4003727 0.89 BTK (0.55) BTKIKBKBCHUKIKBKGSYK
SCHEMBL4002881 0.88 BTK (0.50) BTKIKBKBCHUKIKBKGSYK
SCHEMBL4002607 0.87 BTK (0.53) BTKIKBKBCHUKIKBKGSYK
SCHEMBL3999510 0.85 BTK (0.46) BTKIKBKBCHUKIKBKGSYK

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 3 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 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

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 BTK 1/4885IKBKB 104/4885CHUK 78/4885

“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.