SCHEMBL9941217

SCHEMBL9941217

COc1ccc(-c2ncc3c(n2)-c2c(c(C(=O)NCCCO)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)CC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.48
AURKA O14965 10/20 0.48
CCNA2 P20248 12/20 0.43
CCNA1 P78396 11/20 0.43
CDK4 P11802 2/20 0.42
CCND3 P30281 2/20 0.42
CDK6 Q00534 2/20 0.42
PLK1 P53350 2/20 0.41
TTK P33981 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
IGF1R P08069 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAD52 P43351 1/20 0.37

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
SCHEMBL9940604 0.90 CDK2 (0.48) CDK2AURKACCNA2CCNA1CDK4
SCHEMBL9940534 0.86 CCNA2 (0.46) CDK2AURKACCNA2CCNA1CDK4
SCHEMBL9941078 0.83 CCNA2 (0.52) CDK2AURKACCNA2CCNA1CDK4
SCHEMBL9940538 0.82 CDK2 (0.48) CDK2AURKACCNA2CCNA1CDK4
Trifluoroacetic Acid SCHEMBL9941222 0.82 CDK2 (0.47) CDK2AURKACCNA2CCNA1CDK4
SCHEMBL18751649 0.78 CDK2 (0.50) CDK2AURKACCNA2CCNA1CDK4
SCHEMBL11024059 0.78 MAPKAPK2 (0.47) CDK2AURKACCNA2CCNA1TTK
SCHEMBL15377272 0.77 CDK2 (0.49) CDK2AURKACCNA2CCNA1CDK4
SCHEMBL9941063 0.75 CDK2 (0.46) CDK2AURKACCNA2CCNA1CDK4
SCHEMBL9940625 0.75 CCNA2 (0.53) CDK2AURKACCNA2CCNA1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed
US-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US disclosed
EP-2614065-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-07-17 EP disclosed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US disclosed
WO-2012080990-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 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-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS PIM1, PIM2, PIM3 CDK2 113/4885AURKA 466/4885CCNA2 1765/4885

“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.