SCHEMBL10215996

SCHEMBL10215996

Cn1nc(C(N)=O)c2c1-c1nc(Oc3cccc(N4CCNCC4)c3)ncc1CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.70
CCNA2 P20248 15/20 0.70
CDK4 P11802 7/20 0.70
CCND3 P30281 7/20 0.70
CDK6 Q00534 7/20 0.70
AURKA O14965 7/20 0.59
PLK1 P53350 8/20 0.59
PLK3 Q9H4B4 6/20 0.59
FLT3 P36888 1/20 0.59
NEK6 Q9HC98 1/20 0.59
CCNA1 P78396 8/20 0.58
PLK2 Q9NYY3 4/20 0.53
RPS6KA4 O75676 1/20 0.53
CDK1 P06493 1/20 0.53
KIT P10721 1/20 0.53
IMPDH2 P12268 1/20 0.53
CCNB1 P14635 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CCNE1 P24864 1/20 0.53
FLT4 P35916 1/20 0.53

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
SCHEMBL9940579 0.91 CDK2 (0.70) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL9940510 0.87 CDK2 (0.60) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL9940794 0.84 CCNA2 (0.69) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL9940653 0.83 CCNA2 (0.67) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL9940553 0.83 CDK2 (0.69) CDK2CCNA2CDK4CCND3CDK6
Trifluoroacetic Acid SCHEMBL9940639 0.82 PLK1 (0.64) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL9940400 0.79 CCNA2 (0.64) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL9940837 0.79 CCNA2 (0.60) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL10218678 0.79 CCNA2 (0.59) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL11025830 0.78 PLK1 (0.65) CDK2CCNA2CDK4CCND3CDK6

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 11 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 claimed
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US claimed
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed
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-8541576-B2 Substituted pyrazolo-quinazoline derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-24 US 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
US-20120190678-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-07-26 US 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 113/4885CCNA2 1765/4885CDK4 311/4885

“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.