SCHEMBL550283

SCHEMBL550283

Clc1cccc(-c2ccncc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
TAAR1 Q96RJ0 1/20 0.53
MAPK14 Q16539 2/20 0.53
MAPK13 O15264 1/20 0.53
RAF1 P04049 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
KDR P35968 1/20 0.53
PRKCI P41743 1/20 0.52
KIF11 P52732 1/20 0.52
CNR1 P21554 1/20 0.50
ALOX5 P09917 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
FYN P06241 1/20 0.49
GCGR P47871 1/20 0.49
MAOB P27338 1/20 0.48
IDO1 P14902 1/20 0.48
GRM2 Q14416 1/20 0.48
MAP4K4 O95819 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
SCHEMBL17725848 0.96 MAPK14 (0.50) NOTUMTAAR1MAPK14MAPK13RAF1
Pyridine SCHEMBL27859679 0.85 NPC1 (0.50) NOTUMTAAR1MAPK14MAPK13RAF1
SCHEMBL15411832 0.83 NOTUM (0.68) NOTUMPRKCIKIF11CNR1LMNA
SCHEMBL16394285 0.83 TAAR1 (0.71) TAAR1ALOX5MAOBMAP4K4
SCHEMBL31491189 0.83 TAAR1 (0.71) TAAR1ALOX5MAOBMAP4K4
SCHEMBL817554 0.83 ALOX5 (0.65) NOTUMTAAR1ALOX5MAOBIDO1
SCHEMBL31222672 0.83 ALOX5 (0.65) NOTUMTAAR1ALOX5MAOBIDO1
SCHEMBL23626070 0.82 MAPK14 (0.49) NOTUMMAPK14MAPK13RAF1MAPK12
SCHEMBL18134356 0.82 CYP19A1 (0.50) MAPK14MAPK13RAF1MAPK12MAPK11
Pyrimidine SCHEMBL27936731 0.81 NPC1 (0.50) NOTUMTAAR1MAPK14MAPK13RAF1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US disclosed
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 US disclosed
WO-2007129810-A1 SYNTHESIS OF VINYLPHENYLPYRIDINE AND LIVING ANIONIC POLYMERIZATION GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-11-15 WO disclosed
US-4727148-A Certain aromatization process for preparing 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid ETHYL CORPORATION (US) 1988-02-23 US disclosed
US-4649202-A Brominative aromatization of 4-cyclohexenylpyridines ETHYL CORPORATION (US) 1987-03-10 US disclosed
US-4604467-A Certain 4-(3,4-dibromocyclohexyl)pyridines ETHYL CORPORATION (US) 1986-08-05 US disclosed
US-4552964-A 4-(1-Chlorocyclohex-3-enyl)pyridines and preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-12 US disclosed
US-4552963-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinolinecarboxylic acid ETHYL CORPORATION (US) 1985-11-12 US disclosed
US-4550167-A Preparation of 1-alkyl-1,4-dihydro-4-oxo-7-(4-pyridyl)-3-quinoline carboxylic acid ETHYL CORPORATION (US) 1985-10-29 US disclosed
US-4533735-A Process for preparing antibacterial compounds ETHYL CORPORATION (US) 1985-08-06 US disclosed
US-4490535-A 4-(3- and 4-Chlorocyclohex-3-enyl)pyridine intermediates ETHYL CORPORATION (US) 1984-12-25 US disclosed
US-4405792-A Substituted pyridines and their preparation ETHYL CORPORATION (US) 1983-09-20 US 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 (1 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-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization PBRM1, MVD, PCBP1 NOTUM 1094/4885TAAR1 4360/4885MAPK14 3552/4885

“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.