SCHEMBL7116334

SCHEMBL7116334

Cc1cccc(C)c1C(=O)c1sc(Nc2ccc3nc[nH]c3c2)nc1N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.52
CDK2 P24941 9/20 0.52
CCNT1 O60563 2/20 0.48
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
CDK9 P50750 2/20 0.48
CDK6 Q00534 2/20 0.48
CDK11A Q9UQ88 2/20 0.48
CHRNA7 P36544 6/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
DHODH Q02127 1/20 0.45

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
SCHEMBL5726478 0.94 CCNA2 (0.48) CCNA2CDK2CCNT1CDK4CCND1
SCHEMBL5725347 0.92 CCNT1 (0.57) CCNA2CDK2CCNT1CDK4CCND1
SCHEMBL5726341 0.91 DHODH (0.47) CCNA2CDK2CCNT1CDK4CCND1
SCHEMBL5726886 0.91 CCNA2 (0.48) CCNA2CDK2CCNT1CDK4CCND1
SCHEMBL5725065 0.91 CCNA2 (0.48) CCNA2CDK2CCNT1CDK4CCND1
SCHEMBL5727340 0.88 CCNT1 (0.55) CCNA2CDK2CCNT1CDK4CCND1
SCHEMBL5725526 0.88 CCNT1 (0.55) CCNA2CDK2CCNT1CDK4CCND1
SCHEMBL5725845 0.83 CCNA2 (0.44) CCNA2CDK2CCNT1CDK4CCND1
SCHEMBL5725825 0.83 DHODH (0.52) CCNA2CDK2CDK5CDK5R1DHODH
SCHEMBL5726511 0.82 CCNT1 (0.45) CCNA2CDK2CCNT1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP 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-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 CCNA2 24/4885CDK2 1/4885CCNT1 19/4885

“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.