SCHEMBL11022705

SCHEMBL11022705

CCOC(=O)c1nn(C(C)(C)C)c2c1CCc1cnc(C)nc1-2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 15/20 0.55
CDK2 P24941 15/20 0.55
CCNA1 P78396 11/20 0.55
CDK4 P11802 4/20 0.55
CCND3 P30281 4/20 0.55
CDK6 Q00534 3/20 0.55
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
GABRA5 P31644 4/20 0.43
AURKA O14965 4/20 0.40
PLK1 P53350 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 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
SCHEMBL11022675 0.88 CCNA2 (0.68) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL10216355 0.88 CCNA2 (0.52) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL9940940 0.85 CCNA2 (0.51) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL9940904 0.85 CCNA2 (0.48) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3505467 0.78 CCNA2 (0.57) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL1559142 0.78 CDK2 (0.57) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4162140 0.78 CCNA2 (0.67) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4154590 0.77 CCNA2 (0.66) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL1559207 0.77 CCNA2 (0.66) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL1559150 0.77 CCNA2 (0.66) CCNA2CDK2CCNA1CDK4CCND3

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
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
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US 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.