SCHEMBL3504073

SCHEMBL3504073

CN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.89
PLK3 Q9H4B4 12/20 0.89
PLK2 Q9NYY3 9/20 0.89
FLT3 P36888 5/20 0.89
NEK6 Q9HC98 3/20 0.89
CCNA2 P20248 6/20 0.83
CDK2 P24941 6/20 0.83
CCNA1 P78396 6/20 0.83
TTK P33981 2/20 0.76
PIM1 P11309 1/20 0.76
PIM2 Q9P1W9 1/20 0.76
CSNK2A2 P19784 2/20 0.75
MELK Q14680 2/20 0.75
RPS6KA4 O75676 1/20 0.75
CDK1 P06493 1/20 0.75
KIT P10721 1/20 0.75
IMPDH2 P12268 1/20 0.75
CCNB1 P14635 1/20 0.75
CCNE1 P24864 1/20 0.75
FLT4 P35916 1/20 0.75

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
SCHEMBL3503253 0.94 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL1558606 0.90 PLK1 (0.75) PLK1PLK3PLK2FLT3NEK6
SCHEMBL15377692 0.90 PLK1 (0.91) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503601 0.88 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3505022 0.88 PLK1 (0.79) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503624 0.87 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL25623965 0.87 PLK1 (0.88) PLK1PLK3PLK2FLT3NEK6
SCHEMBL10092916 0.87 PLK1 (0.68) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3503591 0.87 PLK1 (1.00) PLK1PLK3PLK2FLT3NEK6
SCHEMBL25623955 0.87 PLK1 (0.86) 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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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

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.