SCHEMBL10220009

SCHEMBL10220009

CN1CCN(c2ccc(Oc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c(F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.65
CDK2 P24941 7/20 0.65
PLK3 Q9H4B4 7/20 0.65
CCNA2 P20248 6/20 0.65
PLK2 Q9NYY3 4/20 0.65
CCNA1 P78396 4/20 0.65
RPS6KA4 O75676 1/20 0.65
CDK1 P06493 1/20 0.65
KIT P10721 1/20 0.65
IMPDH2 P12268 1/20 0.65
CCNB1 P14635 1/20 0.65
CSNK2A2 P19784 1/20 0.65
CCNE1 P24864 1/20 0.65
FLT4 P35916 1/20 0.65
CSNK1D P48730 1/20 0.65
CSNK1E P49674 1/20 0.65
CDK5 Q00535 1/20 0.65
DYRK1A Q13627 1/20 0.65
MELK Q14680 1/20 0.65
CDK5R1 Q15078 1/20 0.65

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 SCHEMBL11021294 0.96 PLK1 (0.64) PLK1CDK2PLK3CCNA2PLK2
SCHEMBL11025830 0.90 PLK1 (0.65) PLK1CDK2PLK3CCNA2PLK2
Trifluoroacetic Acid SCHEMBL11023473 0.87 PLK1 (0.63) PLK1CDK2PLK3CCNA2PLK2
Trifluoroacetic Acid SCHEMBL11023216 0.87 PLK1 (0.66) PLK1CDK2PLK3CCNA2PLK2
Trifluoroacetic Acid SCHEMBL11022261 0.86 PLK1 (0.61) PLK1CDK2PLK3CCNA2PLK2
SCHEMBL9940553 0.86 CDK2 (0.69) PLK1CDK2PLK3CCNA2PLK2
SCHEMBL9940913 0.84 CCNA2 (0.65) PLK1CDK2PLK3CCNA2PLK2
Trifluoroacetic Acid SCHEMBL9940639 0.81 PLK1 (0.64) PLK1CDK2PLK3CCNA2PLK2
Nms-1286937 SCHEMBL30495915 0.79 PLK1 (1.00) PLK1CDK2PLK3CCNA2PLK2
SCHEMBL9940579 0.79 CDK2 (0.70) PLK1CDK2PLK3CCNA2PLK2

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 PLK1 228/4885CDK2 113/4885PLK3 184/4885

“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.