SCHEMBL2518709

SCHEMBL2518709

O=C(Nc1c[c]ccc1)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ TP53 P04637 1/20 0.65
▸ EPHX1 P07099 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ EPHX2 P34913 1/20 0.65
▸ CDK9 P50750 1/20 0.65
▸ CLK4 Q9HAZ1 1/20 0.65
▸ CASP3 P42574 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ MAOA P21397 2/20 0.55
▸ MAOB P27338 2/20 0.55
▸ KMT2A Q03164 7/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.53
▸ SIRT1 Q96EB6 1/20 0.52
▸ MAPT P10636 5/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ LMNA P02545 2/20 0.49

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
SCHEMBL27659146 0.86 MAPT (0.54) SMN1; SMN2EPHX1TSHREPHX2KMT2A
SCHEMBL2531539 0.84 EPHX2 (0.41) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL6277432 0.83 RAB9A (0.70) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL746119 0.83 ALDH1A1 (0.47) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL6605242 0.82 DDX3X (0.65) SMN1; SMN2TP53KMT2ARAB9ANPC1
SCHEMBL2124693 0.82 EPHX2 (0.67) EPHX2KMT2ARAB9ANPC1MAPT
SCHEMBL4798336 0.82 NPC1 (0.57) SMN1; SMN2TP53MAOBKMT2ARAB9A
SCHEMBL751586 0.82 SMN1; SMN2 (0.74) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL750529 0.81 KCNK3 (0.59) SMN1; SMN2TP53KMT2ARAB9ANPC1
Diphenylurea SCHEMBL133103 0.81 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2

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 18 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-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — 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
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 — — US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 — — 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
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 — — US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 — — US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 — — US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 — — US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 — — EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 — — US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 — — EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 — — 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 (7 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885TP53 49/4885EPHX1 1316/4885
US-20130345245-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP3K1 SMN1; SMN2 2011/4885TP53 427/4885EPHX1 2510/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885TP53 49/4885EPHX1 1316/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4445/4885TP53 49/4885EPHX1 1316/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR SMN1; SMN2 2527/4885TP53 2934/4885EPHX1 2010/4885
US-20120178770-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP3K1 SMN1; SMN2 2011/4885TP53 427/4885EPHX1 2510/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 SMN1; SMN2 4469/4885TP53 44/4885EPHX1 1078/4885

“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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