SCHEMBL6749016

SCHEMBL6749016

Cc1nc(C)c(-c2[nH]nc3c2C(=O)c2ccccc2-3)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.58
CCND1 P24385 6/20 0.58
CDK2 P24941 7/20 0.52
CDK1 P06493 2/20 0.52
CCNB2 O95067 1/20 0.52
ABL1 P00519 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
CCNA1 P78396 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
CCNE2 O96020 5/20 0.46
CCNE1 P24864 5/20 0.46
COMT P21964 6/20 0.41
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CDC7 O00311 1/20 0.38

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
SCHEMBL6749017 0.89 CDK4 (0.52) CDK4CCND1CDK2CDK1CCNB2
SCHEMBL6753304 0.80 CDK4 (0.76) CDK4CCND1CDK2CDK1CCNB2
SCHEMBL12856433 0.73 CDK2 (0.55) CDK4CCND1CDK2CDK1CCNE2
SCHEMBL6753308 0.73 CDK2 (0.69) CDK4CCND1CDK2CDK1CCNB2
SCHEMBL13010028 0.73 CCNE2 (0.54) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL9071199 0.73 IDO1 (0.47) CDK4CCND1MAOBALDH1A1CYP1A2
SCHEMBL16885422 0.71 CDK4 (0.46) CDK4MAOBALDH1A1CYP1A2CYP2C9
SCHEMBL7816362 0.70 IDO1 (0.55) CDK4CCND1ALDH1A1CYP1A2MEN1
SCHEMBL25296388 0.68 CDK2 (0.49) CDK4CCND1CDK2CDK1CCNE2
SCHEMBL29404936 0.68 CDK2 (0.49) CDK4CCND1CDK2CDK1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706718-B2 POTENT INHIBITORS OF CYCLIN DEPENDENT KINASES; TREATING CANCER OR OTHER PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 US disclosed
US-6706718-B2 POTENT INHIBITORS OF CYCLIN DEPENDENT KINASES; TREATING CANCER OR OTHER PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 US disclosed
US-6706718-B2 POTENT INHIBITORS OF CYCLIN DEPENDENT KINASES; TREATING CANCER OR OTHER PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 US disclosed
WO-2002044174-A3 3-(2,4-DIMETHYLTHIAZOL-5-YL) INDENO[1,2-C]PYRAZOL-4-ONE DERIVATIVES AS CDK INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-23 WO disclosed
WO-2002044174-A3 3-(2,4-DIMETHYLTHIAZOL-5-YL) INDENO[1,2-C]PYRAZOL-4-ONE DERIVATIVES AS CDK INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-23 WO disclosed
US-20020107274-A1 3- (2,4-dimethylthiazol-5-yl) indeno [1,2-c]pyrazol-4-one derivatives and their uses BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-08 US disclosed
US-20020107274-A1 3- (2,4-dimethylthiazol-5-yl) indeno [1,2-c]pyrazol-4-one derivatives and their uses BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-08 US disclosed
WO-2002044174-A2 3-(2,4-DIMETHYLTHIAZOL-5-YL) INDENO[1,2-C]PYRAZOL-4-ONE DERIVATIVES AS CDK INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-06 WO disclosed
WO-2002044174-A2 3-(2,4-DIMETHYLTHIAZOL-5-YL) INDENO[1,2-C]PYRAZOL-4-ONE DERIVATIVES AS CDK INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-06 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-20020107274-A1 3- (2,4-dimethylthiazol-5-yl) indeno [1,2-c]pyrazol-4-one derivatives and their uses CCNA1, CCNI, CDKN1A CDK4 10/4885CCND1 34/4885CDK2 7/4885

“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.