SCHEMBL6801181

SCHEMBL6801181

CCC(CC)n1c(=O)ccc2cnc(SC)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.44
CCND1 P24385 9/20 0.44
CCND2 P30279 8/20 0.44
CCND3 P30281 8/20 0.44
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
MAPK8 P45983 8/20 0.38
MAPK10 P53779 6/20 0.38
AURKA O14965 1/20 0.37
LIMK1 P53667 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAPK9 P45984 4/20 0.36
PIM1 P11309 1/20 0.35
TTK P33981 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CYP1A2 P05177 1/20 0.34
CCNB2 O95067 1/20 0.34

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
SCHEMBL30718909 0.88 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL23141962 0.88 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL23141961 0.88 CDK4 (0.58) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL5264817 0.84 CDK4 (0.54) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL29991137 0.84 CDK4 (0.54) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL23142008 0.82 CDK4 (0.43) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL23142006 0.82 CDK4 (0.43) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL30718912 0.82 CDK4 (0.43) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL23141849 0.81 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNE1
SCHEMBL23141809 0.81 CDK4 (0.46) CDK4CCND1CCND2CCND3CCNE1

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
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 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
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 CDK4 1/4885CCND1 23/4885CCND2 25/4885

“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.