SCHEMBL3429571

SCHEMBL3429571

[CH2]c1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.71
MTOR P42345 1/20 0.71
EPHX2 P34913 7/20 0.67
MAPT P10636 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
HTT P42858 3/20 0.63
RAB9A P51151 2/20 0.63
BRAF P15056 1/20 0.55
KDR P35968 1/20 0.55
MAPK14 Q16539 1/20 0.55
TNNI3K Q59H18 1/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL3946302 0.83 BAZ1A (1.00) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL255088 0.83 MTOR (1.00) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL4548071 0.82 EPHX2 (0.85) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL161516 0.82 BAZ1A (0.71) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL3429577 0.82 BAZ1A (0.71) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL30969167 0.82 PTGS1 (0.74) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL28729179 0.82 EPHX2 (1.00) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL11003408 0.82 EPHX2 (1.00) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL2266595 0.79 BAZ1A (0.68) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL5597699 0.79 KMT2A (0.90) EPHX2MAPTMEN1KMT2AHTT

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 6 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
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 BAZ1A 1731/4885MTOR 76/4885EPHX2 3682/4885
US-20120178770-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP3K1 BAZ1A 1731/4885MTOR 76/4885EPHX2 3682/4885

“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.