SCHEMBL1889068

SCHEMBL1889068

CCOC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(Br)cc3OC(F)(F)F)nc1-2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.63
TTK P33981 8/20 0.63
PLK3 Q9H4B4 8/20 0.63
PLK2 Q9NYY3 7/20 0.63
CCNA2 P20248 4/20 0.63
CDK2 P24941 4/20 0.63
CCNA1 P78396 4/20 0.63
CDK4 P11802 1/20 0.63
CCND3 P30281 1/20 0.63
CDK6 Q00534 1/20 0.63
NEK6 Q9HC98 3/20 0.59
FLT3 P36888 2/20 0.59
CSNK2A2 P19784 1/20 0.57
CSNK2B P67870 1/20 0.57
CSNK2A1 P68400 1/20 0.57
MELK Q14680 1/20 0.57
CSNK2A3 Q8NEV1 1/20 0.57
AURKA O14965 1/20 0.57

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
SCHEMBL1558508 0.91 TTK (0.72) PLK1TTKPLK3PLK2CCNA2
SCHEMBL1560201 0.90 PLK1 (0.70) PLK1TTKPLK3PLK2CCNA2
SCHEMBL3505022 0.89 PLK1 (0.79) PLK1TTKPLK3PLK2CCNA2
SCHEMBL3504103 0.89 PLK1 (0.79) PLK1TTKPLK3PLK2CCNA2
SCHEMBL1558606 0.88 PLK1 (0.75) PLK1TTKPLK3PLK2CCNA2
SCHEMBL25627534 0.87 PLK1 (0.67) PLK1TTKPLK3PLK2CCNA2
SCHEMBL12499340 0.86 TTK (0.80) PLK1TTKPLK3PLK2CCNA2
SCHEMBL1888439 0.85 CCNA2 (0.66) PLK1TTKPLK3PLK2CCNA2
SCHEMBL1559230 0.85 TTK (0.57) PLK1TTKPLK3PLK2CCNA2
SCHEMBL1560088 0.85 TTK (0.79) PLK1TTKPLK3PLK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303891-B1 PYRAZOLO-QUINAZOLINES AS PROTEIN KINASE ACTIVITY MODULATORS SERVIER LAB (FR) 2016-02-17 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
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-8846701-B2 Pyrazolo-quinazolines NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-09-30 US 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-20110105542-A1 PYRAZOLO--QUINAZOLINES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 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
EP-2125822-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-12-02 EP 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
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 (2 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-20110105542-A1 PYRAZOLO--QUINAZOLINES PDXK, MAP4K5, MAP3K1 PLK1 32/4885TTK 8/4885PLK3 121/4885
US-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 PLK1 91/4885TTK 131/4885PLK3 121/4885

“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.