SCHEMBL486067

SCHEMBL486067

O=C(O)c1ccc(-c2cccc(F)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.59
DCLRE1B Q9H816 1/20 0.50
ESR2 Q92731 1/20 0.49
CHEK2 O96017 2/20 0.48
MAP4K4 O95819 2/20 0.48
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PLK1 P53350 1/20 0.47
CSNK2A1 P68400 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL29772925 0.83 DDT (0.61) KMOMAP4K4P4HTMP4HA1MIF
SCHEMBL28563936 0.83 DDT (0.61) KMOMAP4K4P4HTMP4HA1MIF
SCHEMBL3637178 0.83 HSD17B1 (0.60) ESR2MAP4K4HPGDSEGLN1P4HTM
SCHEMBL29928830 0.82 P4HTM (0.57) MAP4K4EGLN1P4HTMP4HA1MIF
SCHEMBL2636731 0.82 P4HTM (0.57) MAP4K4EGLN1P4HTMP4HA1MIF
SCHEMBL29929320 0.82 HIF1A (0.55) MAP4K4P4HTMP4HA1MIFKDM4E
SCHEMBL71034 0.82 HIF1A (0.55) MAP4K4P4HTMP4HA1MIFKDM4E
SCHEMBL13680500 0.82 KMO (0.57) KMOMAP4K4EGLN1DHODHP4HTM
SCHEMBL21552113 0.82 EGLN1 (0.58) KMODCLRE1BESR2MAP4K4EGLN1
SCHEMBL13731115 0.82 P4HTM (0.64) MAP4K4EGLN1P4HTMP4HA1MIF

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
CN-109180671-A Imino group thiadiazine dioxide derivative and application thereof 广东东阳光药业有限公司 2019-01-11 CN disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
CN-102958917-B Compositions and methods for modulating the wnt signaling pathway IRM LLC (BM) 2014-10-08 CN disclosed
CN-102438985-B Substituted piperidines as par-1 antagonists BAYER SCHERING PHARMA AG 2014-09-17 CN disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
CN-102958917-A Compositions and methods for modulating the wnt signaling pathway IRM LLC 2013-03-06 CN disclosed
US-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-10-25 US disclosed
CN-102438985-A Substituted piperidines as par-1 antagonists BAYER SCHERING PHARMA AG 2012-05-02 CN disclosed
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 US disclosed
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 WO disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 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 (4 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-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES GRM5, GRM1, GRM3 KMO 801/4885DCLRE1B 4361/4885ESR2 517/4885
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 KMO 3517/4885DCLRE1B 3966/4885ESR2 120/4885
US-20150183773-A1 Substituted piperidines VHL, PIR, PIGO KMO 3494/4885DCLRE1B 3674/4885ESR2 1126/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 KMO 840/4885DCLRE1B 2025/4885ESR2 1816/4885

“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.