SCHEMBL720311

SCHEMBL720311

COc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.61
FGFR4 P22455 3/20 0.53
RPS6KB2 Q9UBS0 2/20 0.53
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
IDO1 P14902 1/20 0.52
MAPT P10636 9/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TYMS P04818 1/20 0.47
NPC1 O15118 1/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 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
SCHEMBL29695592 0.86 RAB9A (0.59) MERTKGAAHTTIDO1MAPT
SCHEMBL720482 0.86 NPC1 (0.56) MERTKFGFR4RPS6KB2HTTMAPT
SCHEMBL9794374 0.85 GAA (0.53) MERTKGAAHTTIDO1MAPT
SCHEMBL718271 0.85 MAPT (0.51) MERTKFGFR4RPS6KB2HTTIDO1
SCHEMBL22719050 0.84 MAPT (0.54) MERTKFGFR4RPS6KB2HTTMAPT
SCHEMBL29535826 0.84 MAPT (0.54) MERTKFGFR4RPS6KB2HTTMAPT
SCHEMBL21671950 0.83 MAPT (0.58) FGFR4RPS6KB2HTTMAPTRAB9A
SCHEMBL9984336 0.83 MAPT (0.52) MERTKFGFR4RPS6KB2HTTMAPT
SCHEMBL9984430 0.83 HSF1 (0.58) MERTKGAAHTTIDO1MAPT
SCHEMBL12705359 0.82 FGFR4 (0.52) FGFR4RPS6KB2HTTMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 US disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 US disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 US disclosed
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-02-10 US disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 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
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 (7 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 2948/4885FGFR4 1689/4885RPS6KB2 2996/4885
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 4416/4885FGFR4 2376/4885RPS6KB2 1839/4885
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 MERTK 400/4885FGFR4 1103/4885RPS6KB2 790/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 MERTK 363/4885FGFR4 1415/4885RPS6KB2 1340/4885
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 MERTK 363/4885FGFR4 1415/4885RPS6KB2 1340/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 MERTK 363/4885FGFR4 1415/4885RPS6KB2 1340/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 MERTK 363/4885FGFR4 1415/4885RPS6KB2 1340/4885

“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.