SCHEMBL14214855

SCHEMBL14214855

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.68
MAPK10 P53779 1/20 0.54
CCNT1 O60563 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
PLK4 O00444 1/20 0.51
JAK2 O60674 2/20 0.49
LRRK2 Q5S007 1/20 0.49
KIT P10721 1/20 0.49
FLT3 P36888 1/20 0.49

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
SCHEMBL3996324 0.87 BTK (0.70) BTKMAPK10CCNT1CDK1CCNB1
SCHEMBL4007822 0.86 BTK (0.68) BTKMAPK10CCNT1CDK1CCNB1
SCHEMBL3999877 0.84 BTK (0.66) BTKMAPK10CCNT1CDK1CCNB1
SCHEMBL3999908 0.81 BTK (1.00) BTKJAK2FLT3
SCHEMBL14021578 0.79 JAK2 (0.64) BTKMAPK10CDK2CDK9PLK4
SCHEMBL4000808 0.79 BTK (0.58) BTKMAPK10CCNT1CDK1CCNA2
SCHEMBL4008028 0.78 BTK (0.57) BTKMAPK10CDK1CDK2CDK9
SCHEMBL4000801 0.77 BTK (0.57) BTKMAPK10CDK1CDK2JAK2
SCHEMBL4003456 0.76 BTK (0.56) BTKMAPK10CDK1CDK2
SCHEMBL4003732 0.76 BTK (0.56) BTKMAPK10CCNT1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MAPK10 2354/4885CCNT1 442/4885

“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.