SCHEMBL9940534

SCHEMBL9940534

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 14/20 0.46
CDK2 P24941 14/20 0.46
CCNA1 P78396 14/20 0.46
AURKA O14965 9/20 0.46
PLK1 P53350 8/20 0.46
MAPKAPK2 P49137 4/20 0.43
TTK P33981 3/20 0.40
PLK3 Q9H4B4 3/20 0.40
PLK2 Q9NYY3 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CDK4 P11802 3/20 0.39
CCND3 P30281 3/20 0.39
CDK6 Q00534 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9941078 0.90 CCNA2 (0.52) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9941063 0.88 CDK2 (0.46) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9941217 0.86 CDK2 (0.48) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL17746006 0.80 CCNA2 (0.52) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940625 0.80 CCNA2 (0.53) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940604 0.75 CDK2 (0.48) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL17746013 0.72 CDK2 (0.60) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL17745986 0.72 PLK1 (0.49) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL3503141 0.72 CDK2 (0.52) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL17746016 0.72 CCNA2 (0.54) CCNA2CDK2CCNA1AURKAPLK1

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 CCNA2 1765/4885CDK2 113/4885CCNA1 1660/4885

“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.