SCHEMBL10216009

SCHEMBL10216009

COc1ncc2ccc3c(C(N)=O)nn(CC4CCNCC4)c3c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.44
TTK P33981 3/20 0.44
PIM2 Q9P1W9 3/20 0.44
PDPK1 O15530 1/20 0.41
CDK2 P24941 1/20 0.41
LCK P06239 2/20 0.36
ABL1 P00519 2/20 0.35
MERTK Q12866 2/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MAPK1 P28482 1/20 0.34
SRC P12931 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
NR3C1 P04150 1/20 0.33
CSK P41240 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PRKD3 O94806 1/20 0.32

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
Hydrochloric Acid SCHEMBL11021943 0.99 PIM1 (0.43) PIM1TTKPIM2PDPK1CDK2
SCHEMBL9940832 0.85 PIM1 (0.61) PIM1TTKPIM2PDPK1CDK2
Hydrochloric Acid SCHEMBL9940773 0.84 PIM1 (0.61) PIM1TTKPIM2PDPK1CDK2
SCHEMBL9941049 0.84 PIM1 (0.48) PIM1TTKPIM2PIK3CAMTOR
Hydrochloric Acid SCHEMBL9940697 0.83 PIM1 (0.47) PIM1TTKPIM2SRCPIK3CA
SCHEMBL9940675 0.80 PIM1 (0.43) PIM1TTKPIM2CDK2AURKA
SCHEMBL9940536 0.77 TTK (0.38) PIM1TTKPIM2CDK2AURKA
SCHEMBL9940823 0.75 PIM1 (0.54) PIM1TTKPIM2MERTK
Hydrochloric Acid SCHEMBL11020620 0.74 PIM1 (0.53) PIM1TTKPIM2MERTK
SCHEMBL10216356 0.71 PIM1 (0.48) PIM1TTKPIM2SRCKCNH2

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 PIM1 1/4885TTK 291/4885PIM2 2/4885

“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.