SCHEMBL9940669

SCHEMBL9940669

CC(C)(C)OC(=O)NCCCn1nc(C(=O)O)c2c1-c1nc(-c3ccc(F)cc3)ncc1CC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.41
PDPK1 O15530 2/20 0.41
PLK1 P53350 9/20 0.41
AURKA O14965 9/20 0.41
CCNA2 P20248 9/20 0.41
CCNA1 P78396 8/20 0.41
GBA1 P04062 1/20 0.37
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
FLT3 P36888 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MELK Q14680 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
PLK2 Q9NYY3 1/20 0.36

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
SCHEMBL9940487 0.91 CDK2 (0.45) CDK2PDPK1PLK1AURKACCNA2
SCHEMBL9937702 0.87 HDAC6 (0.36) GBA1
SCHEMBL11026206 0.82 CDK2 (0.54) CDK2PDPK1PLK1AURKACCNA2
Trifluoroacetic Acid SCHEMBL9940945 0.81 CDK2 (0.53) CDK2PDPK1PLK1AURKACCNA2
Trifluoroacetic Acid SCHEMBL9940859 0.76 CDK2 (0.61) CDK2PDPK1PLK1AURKACCNA2
SCHEMBL9940813 0.76 TTK (0.35) PLK1GBA1
SCHEMBL9940885 0.76 CDK2 (0.47) CDK2PDPK1PLK1AURKACCNA2
SCHEMBL9940817 0.73 CDK2 (0.52) CDK2PDPK1PLK1AURKACCNA2
SCHEMBL9941063 0.72 CDK2 (0.46) CDK2PDPK1PLK1AURKACCNA2
Trifluoroacetic Acid SCHEMBL9941222 0.72 CDK2 (0.47) CDK2PDPK1PLK1AURKACCNA2

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 22/4885PLK1 228/4885

“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.