SCHEMBL2122840

SCHEMBL2122840

CC1(C)OB(c2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)OC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.61
▸ PDGFRB P09619 1/20 0.56
▸ TRPV1 Q8NER1 11/20 0.55
▸ CA9 Q16790 4/20 0.55
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA7 P43166 3/20 0.55
▸ RAF1 P04049 2/20 0.52
▸ BRAF P15056 2/20 0.52

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
SCHEMBL28456685 0.90 KDR (0.65) KDRPDGFRBTRPV1CA9CA1
SCHEMBL58722 0.85 KDR (0.58) KDRPDGFRBTRPV1CA9CA1
SCHEMBL12491436 0.84 MTOR (0.57) KDRPDGFRBCA9CA1CA2
SCHEMBL64906 0.83 KDR (0.64) KDRPDGFRBTRPV1CA9CA1
SCHEMBL19677976 0.81 KDR (0.88) KDRTRPV1CA9CA1CA2
SCHEMBL5675377 0.80 PDGFRB (0.58) KDRPDGFRBCA9CA1CA2
SCHEMBL60880 0.79 KDR (0.56) KDRPDGFRBTRPV1CA9CA1
SCHEMBL15932600 0.79 RAB9A (0.55) KDRPDGFRBCA9CA1CA2
SCHEMBL3197169 0.79 MAPT (0.56) KDRPDGFRBTRPV1CA9CA1
SCHEMBL17669988 0.79 KDR (0.66) KDRPDGFRBTRPV1CA9CA1

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-3045457-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2016-07-20 — — EP disclosed
US-8969366-B2 Substituted pyrimidinylpyrrolopyridinone derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-03 — — US disclosed
US-20130345245-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-26 — — US disclosed
US-8546413-B2 Substituted pyrimidinylpyrrolopyridinone derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-01 — — US disclosed
US-20120178770-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-12 — — US disclosed
EP-2443117-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-04-25 — — EP disclosed
WO-2010145998-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-12-23 — — 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-20130345245-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP3K1 KDR 886/4885PDGFRB 270/4885TRPV1 4154/4885
US-20120178770-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP3K1 KDR 886/4885PDGFRB 270/4885TRPV1 4154/4885

“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.

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