SCHEMBL9940580

SCHEMBL9940580

NC(=O)c1nn(CCF)c2c1CCc1cnc(-c3c(F)cccc3F)nc1-2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 10/20 0.57
CDK2 P24941 17/20 0.56
PDPK1 O15530 2/20 0.56
CCNA2 P20248 15/20 0.52
CCNA1 P78396 15/20 0.52
AURKA O14965 11/20 0.52
PLK3 Q9H4B4 4/20 0.52
PLK2 Q9NYY3 4/20 0.52
FLT3 P36888 1/20 0.49
CDK4 P11802 1/20 0.46
CCND3 P30281 1/20 0.46
TTK P33981 1/20 0.46
CDK6 Q00534 1/20 0.46

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
SCHEMBL9940894 0.83 CDK2 (0.67) PLK1CDK2PDPK1CCNA2CCNA1
Hydrochloric Acid SCHEMBL11028836 0.83 CDK2 (0.66) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL3503577 0.81 PLK1 (0.58) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL9940634 0.80 CDK2 (0.63) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL9940901 0.79 PIM1 (0.57) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL10219382 0.78 CDK2 (0.48) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL9940817 0.77 CDK2 (0.52) PLK1CDK2PDPK1CCNA2CCNA1
Trifluoroacetic Acid SCHEMBL9940859 0.77 CDK2 (0.61) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL18751493 0.77 CDK2 (0.47) PLK1CDK2PDPK1CCNA2CCNA1
SCHEMBL3503535 0.75 PLK1 (0.79) PLK1CDK2PDPK1CCNA2CCNA1

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 PLK1 228/4885CDK2 113/4885PDPK1 22/4885

“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.