SCHEMBL3503601

SCHEMBL3503601

CCN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 1.00
PLK3 Q9H4B4 10/20 1.00
PLK2 Q9NYY3 8/20 1.00
FLT3 P36888 5/20 0.88
NEK6 Q9HC98 3/20 0.88
CCNA2 P20248 5/20 0.79
CDK2 P24941 5/20 0.79
CCNA1 P78396 5/20 0.79
CSNK2A2 P19784 2/20 0.77
MELK Q14680 2/20 0.77
CSNK2B P67870 1/20 0.77
CSNK2A1 P68400 1/20 0.77
CSNK2A3 Q8NEV1 1/20 0.77
ALK Q9UM73 1/20 0.74
RPS6KA4 O75676 1/20 0.73
CDK1 P06493 1/20 0.73
KIT P10721 1/20 0.73
IMPDH2 P12268 1/20 0.73
CCNB1 P14635 1/20 0.73
CCNE1 P24864 1/20 0.73

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
SCHEMBL25623965 0.94 PLK1 (0.88) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503253 0.94 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3504873 0.90 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503624 0.90 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL15377692 0.89 PLK1 (0.91) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3504626 0.89 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3502388 0.88 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3504073 0.88 PLK1 (0.89) PLK1PLK3PLK2FLT3NEK6
SCHEMBL25623951 0.88 PLK1 (0.83) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3504604 0.87 PLK1 (0.84) PLK1PLK3PLK2FLT3NEK6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125822-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2014-11-19 EP disclosed
EP-2125822-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2014-11-19 EP disclosed
US-8614220-B2 Substituted pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-24 US disclosed
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2010-08-26 US disclosed
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2010-08-26 US disclosed
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2010-08-26 US disclosed
WO-2008074788-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 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-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 PLK1 91/4885PLK3 121/4885PLK2 30/4885

“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.