SCHEMBL379458

SCHEMBL379458

Cc1cccc(C#N)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
NOTUM Q6P988 1/20 0.42
AR P10275 7/20 0.39
EGLN2 Q96KS0 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.37
LRRK2 Q5S007 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
BCAT1 P54687 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL31287961 1.00 TSHR (0.60) TSHRNOTUMAREGLN2CYP1A2
Hydrochloric Acid SCHEMBL28181337 0.98 TSHR (0.58) TSHRNOTUMAREGLN2CYP1A2
SCHEMBL1533157 0.83 TSHR (0.46) TSHRNOTUMEGLN2CYP1A2CYP2C19
SCHEMBL410450 0.79 TSHR (0.44) TSHRNOTUMAREGLN2ALDH1A1
SCHEMBL1145126 0.77 TSHR (0.38) TSHRCYP1A2ACHECA1CA2
SCHEMBL16952678 0.77 TSHR (0.38) TSHRCYP1A2ACHECA1CA2
SCHEMBL16959874 0.77 TSHR (0.38) TSHRCYP1A2ACHECA1CA2
SCHEMBL15440917 0.77 KIF11 (0.39) TSHRCYP1A2ACHECA1CA2
SCHEMBL21022697 0.76 TSHR (0.65) TSHRNOTUMARCYP1A2CYP2C19
SCHEMBL30443847 0.76 BCAT1 (0.49) TSHRNOTUMEGLN2CA1CA2

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 341 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105492433-B 6- (5-hydroxy-1H-pyrazol-1-yl) nicotinamide derivatives and their use as PHD inhibitors 武田药品工业株式会社 2018-11-23 CN claimed
EP-4698520-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF Gandeeva Therapeutics, Inc. (US) 2026-02-25 EP disclosed
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 US disclosed
CN-120136870-A GLP-1 receptor targeting compounds and uses thereof 信达生物科技有限公司 2025-06-13 CN disclosed
WO-2025119206-A1 GLP-1 RECEPTOR TARGETING COMPOUNDS AND USES THEREOF FORTVITA BIOLOGICS INC. (KY) 2025-06-12 WO disclosed
WO-2024220708-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF GANDEEVA THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
CN-118715221-A Tricyclic compounds and uses thereof 希格生科(深圳)有限公司 2024-09-27 CN disclosed
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 US disclosed
WO-2024073624-A2 ANTIPROLIFERATIVE BETTI BASES AND PRODRUGS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-04 WO disclosed
WO-2010015518-A2 4-DIMETHYLAMINO-PHENYL-SUBSTITUTED NAPHTHYRIDINES, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNTIONAL GMBH (DE) 2010-02-11 WO disclosed
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-11-05 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090143444-A1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-04 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-7498337-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-03 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
WO-2007026916-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP 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 (8 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-20090143444-A1 ACID SECRETION INHIBITOR HRH2, VIP, CCKBR TSHR 241/4885NOTUM 460/4885AR 3860/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TSHR 4633/4885NOTUM 242/4885AR 3827/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR TSHR 343/4885NOTUM 268/4885AR 3663/4885
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease HRH2, GIPR, HRH4 TSHR 34/4885NOTUM 2294/4885AR 4452/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885NOTUM 276/4885AR 1062/4885
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR TSHR 344/4885NOTUM 3681/4885AR 3055/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR TSHR 344/4885NOTUM 3681/4885AR 3055/4885
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK TSHR 2323/4885NOTUM 3419/4885AR 3637/4885

“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.