SCHEMBL717565

SCHEMBL717565

N#Cc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.55
MAPT P10636 4/20 0.48
FGFR4 P22455 3/20 0.46
VCAM1 P19320 2/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT1 Q99873 1/20 0.46
PIN1 Q13526 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
HTT P42858 1/20 0.42
SYK P43405 1/20 0.40
GSK3B P49841 1/20 0.40
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
RPS6KB2 Q9UBS0 2/20 0.39
DHODH Q02127 2/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1429638 0.85 ABCG2 (0.50) MERTKMAPTFGFR4VCAM1PIN1
SCHEMBL22719050 0.84 MAPT (0.54) MERTKMAPTFGFR4PIN1HTT
SCHEMBL29535826 0.84 MAPT (0.54) MERTKMAPTFGFR4PIN1HTT
SCHEMBL29392518 0.83 FGFR4 (0.49) MERTKMAPTFGFR4VCAM1CARM1
SCHEMBL18766140 0.83 FGFR4 (0.49) MERTKMAPTFGFR4VCAM1CARM1
SCHEMBL9984336 0.83 MAPT (0.52) MERTKMAPTFGFR4PIN1HTT
SCHEMBL15653997 0.82 MAPT (0.51) MERTKMAPTFGFR4PIN1HTT
SCHEMBL9984006 0.82 MAPT (0.55) MAPTFGFR4PIN1HTTGSK3B
SCHEMBL718271 0.82 MAPT (0.51) MERTKMAPTFGFR4PIN1HTT
SCHEMBL12705359 0.82 FGFR4 (0.52) MAPTFGFR4PIN1ABCG2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340492-B2 Meta-Diarylaniline or meta-diarylpyridinamine compound, preparation method and medical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-05-17 US disclosed
US-20150218088-A1 META-DIARYLANILINE OR META-DIARYLPYRIDINAMINE COMPOUND, PREPARATION METHOD AND MEDICAL USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-08-06 US disclosed
US-8933106-B2 2-(4-substituted phenylamino) polysubstituted pyridine compounds as inhibitors of non-nucleoside HIV reverse transcriptase, preparation methods and uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-01-13 US disclosed
CN-103732575-A Diarylaniline or diarylpyridinamine compound and preparation method and medical use thereof INST PHARM & TOXICOLOGY AMMS 2014-04-16 CN disclosed
EP-2351739-B1 2-(4-SUBSTITUTED PHENYLAMINO) POLYSUBSTITUTED PYRIDINE COMPOUNDS AS THE INHIBITORS OF NON-NUCLEOSIDE HIV REVERSE TRANSCRIPTASE, PRAPARATION METHODS AND USES THEREOF INST PHARM & TOXICOLOGY AMMS (CN) 2013-07-31 EP disclosed
US-20120053213-A1 2-(4-SUBSTITUTED PHENYLAMINO) POLYSUBSTITUTED PYRIDINE COMPOUNDS AS INHIBITORS OF NON-NUCLEOSIDE HIV REVERSE TRANSCRIPTASE, PREPARATION METHODS AND USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2012-03-01 US disclosed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP disclosed
EP-2351739-A1 THE 2-(4-SUBSTITUTED PHENYLAMINO) POLYSUBSTITUTED PYRIDINE COMPOUNDS AS THE INHIBITORS OF NON-NUCLEOSIDE HIV REVERSE TRANSCRIPTASE, PRAPARATION METHODS AND USES THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2011-08-03 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 (3 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 MERTK 2948/4885MAPT 4055/4885FGFR4 1689/4885
US-20120053213-A1 2-(4-SUBSTITUTED PHENYLAMINO) POLYSUBSTITUTED PYRIDINE COMPOUNDS AS INHIBITORS OF NON-NUCLEOSIDE HIV REVERSE TRANSCRIPTASE, PREPARATION METHODS AND USES THEREOF PNP, DPYD, TYMP MERTK 4416/4885MAPT 1866/4885FGFR4 2376/4885
US-20150218088-A1 META-DIARYLANILINE OR META-DIARYLPYRIDINAMINE COMPOUND, PREPARATION METHOD AND MEDICAL USES THEREOF QDPR, COMT, CYP2D6 MERTK 3962/4885MAPT 901/4885FGFR4 4853/4885

“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.