SCHEMBL6802377

SCHEMBL6802377

Cn1c(=O)ccc2cnc(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.54
CCND1 P24385 9/20 0.54
CCND2 P30279 9/20 0.54
CCND3 P30281 9/20 0.54
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
BRPF1 P55201 2/20 0.39
CA12 O43570 1/20 0.39
BRD4 O60885 1/20 0.39
CA9 Q16790 1/20 0.39
KAT2B Q92831 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
FGFR1 P11362 5/20 0.37
FGFR2 P21802 4/20 0.37
FGFR4 P22455 4/20 0.37
FGFR3 P22607 4/20 0.37
SRC P12931 3/20 0.37
EGFR P00533 2/20 0.37
CCNB2 O95067 3/20 0.36

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
SCHEMBL25462029 0.80 CDK4 (0.55) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL29861616 0.80 CDK4 (0.55) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL6808415 0.79 CDK4 (0.59) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL5264427 0.79 CDK4 (0.54) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL4825502 0.78 CDK4 (0.57) CDK4CCND1CCND2CCND3MAPK8
Hydrochloric Acid SCHEMBL29862011 0.77 CDK4 (0.52) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL6808956 0.77 CDK4 (0.60) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL2262076 0.76 CDK4 (0.67) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL5264100 0.76 CDK4 (0.51) CDK4CCND1CCND2CCND3MAPK8
SCHEMBL19231463 0.76 CYP1A2 (0.62) CDK4CCND1CCND2CCND3HSD17B10

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
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 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 (2 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 CDK4 1/4885CCND1 23/4885CCND2 25/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 CDK4 98/4885CCND1 2208/4885CCND2 2554/4885

“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.