SCHEMBL4008028

SCHEMBL4008028

Cc1c(N)cccc1-c1ccnc(Nc2ccc(C(=O)N3CCCCC3)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.57
MTOR P42345 1/20 0.57
SMG1 Q96Q15 1/20 0.57
IKBKB O14920 9/20 0.56
CHUK O15111 9/20 0.56
IKBKG Q9Y6K9 9/20 0.56
CDK1 P06493 1/20 0.49
CDK2 P24941 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
PRKCZ Q05513 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BRD4 O60885 1/20 0.48
CDK9 P50750 1/20 0.48
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
BLK P51451 1/20 0.48
ITK Q08881 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
SCHEMBL4000808 0.99 BTK (0.58) BTKMTORSMG1IKBKBCHUK
SCHEMBL3996324 0.91 BTK (0.70) BTKCDK1CDK2CDK9PLK4
SCHEMBL4003732 0.91 BTK (0.56) BTKMTORSMG1IKBKBCHUK
SCHEMBL4000789 0.90 BTK (0.55) BTKMTORSMG1IKBKBCHUK
SCHEMBL4987511 0.90 BTK (0.55) BTKMTORSMG1IKBKBCHUK
SCHEMBL4002612 0.89 BTK (0.55) BTKMTORSMG1IKBKBCHUK
SCHEMBL4003456 0.89 BTK (0.56) BTKMTORSMG1IKBKBCHUK
SCHEMBL4985527 0.89 BTK (0.53) BTKMTORSMG1IKBKBCHUK
SCHEMBL4000801 0.88 BTK (0.57) BTKMTORSMG1IKBKBCHUK
SCHEMBL4983305 0.86 BRD4 (0.48) BTKMTORSMG1IKBKBCHUK

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 4 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
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 1/4885MTOR 1798/4885SMG1 253/4885

“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.