SCHEMBL332789

SCHEMBL332789

N#Cc1cc(F)c(N)c(Br)c1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.42
TRPV4 Q9HBA0 2/20 0.39
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
EGLN2 Q96KS0 1/20 0.30

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
SCHEMBL20681013 0.84 GAA (0.34) KHKTRPV4ADRB2ESR1ESR2
SCHEMBL9821000 0.82 EGLN2 (0.35) KHKTRPV4ADRB2ADRB1EGLN2
SCHEMBL10351188 0.81 TRPV4 (0.43) KHKTRPV4ESR1ESR2CYP11B1
SCHEMBL31267298 0.81 KHK (0.40) KHKTRPV4ADRB2ADRB1ESR1
SCHEMBL17687703 0.76 KHK (0.42) KHKTRPV4ADRB2ADRB1ESR1
SCHEMBL31186755 0.76 GAA (0.34) KHKTRPV4ADRB2ADRB1ESR1
SCHEMBL20680925 0.75 ADRB2 (0.31) ADRB2
SCHEMBL20995715 0.74 MPL (0.31) TRPV4
SCHEMBL30487408 0.73 ADRB2 (0.42) KHKTRPV4ADRB2ADRB1ESR1
SCHEMBL3230060 0.73 ADRB2 (0.42) KHKTRPV4ADRB2ADRB1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938261-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2018-04-10 US disclosed
US-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. 2017-09-28 US disclosed
EP-3207030-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-08-23 EP disclosed
EP-2766359-B9 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2017-04-05 EP disclosed
US-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2016-12-15 US disclosed
US-9452167-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-09-27 US disclosed
WO-2016060941-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-04-21 WO disclosed
EP-2766359-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2016-04-13 EP disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-07-16 US disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO disclosed
EP-0224001-B1 ANTHRANILONITRILE DERIVATIVES AND RELATED COMPOUNDS AS USEFUL AGENTS FOR PROMOTING GROWTH, IMPROVING FEED EFFICIENCY, AND FOR INCREASING THE LEAN MEAT TO FAT RATIO OF WARM-BLOODED ANIMALS AMERICAN CYANAMID COMPANY (US) 1991-03-20 EP disclosed
US-4863959-A Anthranilonitrile derivatives as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1989-09-05 US disclosed
EP-0224001-A1 Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-06-03 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 (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-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA KHK 1649/4885TRPV4 4581/4885ADRB2 2471/4885
US-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KHK 155/4885TRPV4 258/4885ADRB2 403/4885
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 KHK 756/4885TRPV4 3305/4885ADRB2 909/4885
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA KHK 1649/4885TRPV4 4581/4885ADRB2 2471/4885

“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.