SCHEMBL9941223

SCHEMBL9941223

COc1ccc(-c2ncc3c(n2)-c2c(c(C(=O)NCCCOC(=O)C(F)(F)F)nn2CCCN)CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.45
PDPK1 O15530 2/20 0.45
AURKA O14965 8/20 0.44
CCNA2 P20248 8/20 0.44
CCNA1 P78396 8/20 0.44
PLK1 P53350 9/20 0.44
RXFP1 Q9HBX9 1/20 0.38
FLT3 P36888 1/20 0.38
MAPKAPK2 P49137 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
Trifluoroacetic Acid SCHEMBL9941222 0.90 CDK2 (0.47) CDK2PDPK1AURKACCNA2CCNA1
SCHEMBL9940538 0.90 CDK2 (0.48) CDK2PDPK1AURKACCNA2CCNA1
SCHEMBL9940946 0.78 CDK2 (0.49) CDK2PDPK1AURKACCNA2CCNA1
SCHEMBL15377272 0.77 CDK2 (0.49) CDK2AURKACCNA2CCNA1PLK1
Trifluoroacetic Acid SCHEMBL9940945 0.75 CDK2 (0.53) CDK2PDPK1AURKACCNA2CCNA1
SCHEMBL9941217 0.74 CDK2 (0.48) CDK2AURKACCNA2CCNA1PLK1
SCHEMBL9940634 0.74 CDK2 (0.63) CDK2PDPK1AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL9940859 0.74 CDK2 (0.61) CDK2PDPK1AURKACCNA2CCNA1
SCHEMBL12698346 0.74 CDK2 (0.48) CDK2AURKACCNA2CCNA1PLK1
Hydrochloric Acid SCHEMBL6793621 0.73 MAPKAPK2 (0.43) CDK2PDPK1AURKACCNA2CCNA1

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 113/4885PDPK1 22/4885AURKA 466/4885

“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.