SCHEMBL3996324

SCHEMBL3996324

Cc1c(N)cccc1-c1ccnc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.70
PLK4 O00444 1/20 0.57
MAPK10 P53779 1/20 0.56
CDK1 P06493 2/20 0.53
CDK2 P24941 2/20 0.53
CCNT1 O60563 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
CCNH P51946 1/20 0.53
KIT P10721 1/20 0.52
FLT3 P36888 1/20 0.52
JAK2 O60674 3/20 0.52
LRRK2 Q5S007 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50

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 0.92 BTK (0.58) BTKPLK4MAPK10CDK1CDK2
SCHEMBL4008028 0.91 BTK (0.57) BTKPLK4MAPK10CDK1CDK2
SCHEMBL4007822 0.89 BTK (0.68) BTKPLK4MAPK10CDK1CDK2
SCHEMBL4003732 0.89 BTK (0.56) BTKPLK4MAPK10CDK1CDK2
SCHEMBL4000789 0.88 BTK (0.55) BTKCDK1CDK2CDK9JAK2
SCHEMBL4987511 0.88 BTK (0.55) BTKCDK1CDK2CDK9
SCHEMBL4002612 0.87 BTK (0.55) BTKPLK4CDK1CDK2CCNT1
SCHEMBL14214855 0.87 BTK (0.68) BTKPLK4MAPK10CDK1CDK2
SCHEMBL3999877 0.86 BTK (0.66) BTKPLK4MAPK10CDK1CDK2
SCHEMBL4985527 0.85 BTK (0.53) BTKCDK1CDK2CDK9

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 6 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
US-20080125417-A1 CERTAIN PYRIMIDINES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. 2008-05-29 US 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 1/4885PLK4 2102/4885MAPK10 2354/4885

“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.