SCHEMBL2124693

SCHEMBL2124693

O=C(Nc1c[c]ccc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.67
MTOR P42345 2/20 0.58
BAZ1A Q9NRL2 1/20 0.58
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
NPC1 O15118 2/20 0.50
RORC P51449 1/20 0.50
STING1 Q86WV6 1/20 0.48

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
SCHEMBL26985985 0.85 MAPT (0.58) EPHX2RAB9AMAPTMEN1KMT2A
SCHEMBL4797759 0.83 CA12 (0.57) MTORRAB9AMAPTMEN1KMT2A
SCHEMBL4548071 0.82 EPHX2 (0.85) EPHX2MTORBAZ1ARAB9AMAPT
SCHEMBL2518709 0.82 SMN1; SMN2 (0.65) EPHX2RAB9AMAPTMEN1KMT2A
SCHEMBL28729179 0.82 EPHX2 (1.00) EPHX2MTORBAZ1ARAB9AMAPT
SCHEMBL11003408 0.82 EPHX2 (1.00) EPHX2MTORBAZ1ARAB9AMAPT
SCHEMBL27659146 0.80 MAPT (0.54) EPHX2RAB9AMAPTMEN1KMT2A
SCHEMBL3432321 0.78 KDR (0.72) CA1CA2CA9
SCHEMBL2260731 0.76 L3MBTL1 (0.51) RAB9AMAPTMEN1KMT2ACA12
SCHEMBL27920924 0.75 GPR27 (0.57)

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 EPHX2 3682/4885MTOR 76/4885BAZ1A 1731/4885
US-20120178770-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP3K1 EPHX2 3682/4885MTOR 76/4885BAZ1A 1731/4885

“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.