SCHEMBL9940438

SCHEMBL9940438

CN(C)/C=C1\CCc2c(C(=O)O)nn(C)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.39
CDK2 P24941 11/20 0.39
CCNA1 P78396 9/20 0.39
AURKA O14965 5/20 0.39
PLK1 P53350 3/20 0.39
CDK4 P11802 4/20 0.31
CCND3 P30281 4/20 0.31
CDK6 Q00534 4/20 0.31
TTK P33981 2/20 0.31
PLK3 Q9H4B4 1/20 0.31
PLK2 Q9NYY3 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9940440 1.00 CCNA2 (0.39) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL25195753 1.00 CCNA2 (0.39) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL12499446 0.93 CCNA2 (0.35) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940708 0.85 CCNA2 (0.38) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940709 0.85 CCNA2 (0.38) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940900 0.84 AURKA (0.30) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL28323334 0.84 KDM4E (0.34) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940898 0.84 AURKA (0.30) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL10216353 0.82 CCNA2 (0.44) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL1558479 0.82 CCNA2 (0.44) 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 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.