SCHEMBL772656

SCHEMBL772656

Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
CASP6 P55212 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
DTYMK P23919 1/20 0.47
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
HCAR3 P49019 2/20 0.45
LMNA P02545 1/20 0.44
CDC25B P30305 1/20 0.44
CYP1A2 P05177 1/20 0.44
GPR35 Q9HC97 2/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL29502565 1.00 TSHR (0.58) TSHRCASP6L3MBTL1TDP1CES2
SCHEMBL4180430 0.90 TSHR (0.61) TSHRCASP6L3MBTL1TDP1CES2
SCHEMBL26841751 0.90 TSHR (0.56) TSHRCASP6L3MBTL1TDP1CES2
SCHEMBL272650 0.90 TSHR (0.61) TSHRCASP6L3MBTL1TDP1CES2
SCHEMBL28196295 0.90 TSHR (0.56) TSHRCASP6L3MBTL1TDP1CES2
Hydrochloric Acid SCHEMBL11774750 0.89 TSHR (0.59) TSHRCASP6L3MBTL1TDP1CES2
SCHEMBL14993474 0.87 TSHR (0.53) TSHRCASP6L3MBTL1TDP1CES2
SCHEMBL2240139 0.87 TSHR (0.53) TSHRCASP6L3MBTL1TDP1CES2
SCHEMBL29502323 0.87 TSHR (0.53) TSHRCASP6L3MBTL1TDP1CES2
SCHEMBL5115680 0.85 TSHR (0.51) TSHRCASP6L3MBTL1TDP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042749-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2026-02-12 US disclosed
US-12545659-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2026-02-10 US disclosed
US-20250154140-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2025-05-15 US disclosed
EP-4479383-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2024-12-25 EP disclosed
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-02-22 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
WO-2023155019-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2023-08-24 WO disclosed
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-02 US disclosed
CN-103958498-A Aminopyrimidine derivatives as LRRK2 modulators HOFFMANN LA ROCHE 2014-07-30 CN disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO 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 (10 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP TSHR 3298/4885CASP6 953/4885L3MBTL1 4527/4885
US-12545659-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK4 TSHR 629/4885CASP6 2180/4885L3MBTL1 398/4885
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 TSHR 1439/4885CASP6 2941/4885L3MBTL1 744/4885
US-20260042749-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK4 TSHR 334/4885CASP6 2179/4885L3MBTL1 3031/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP TSHR 3298/4885CASP6 953/4885L3MBTL1 4527/4885
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS PPIA, S100A4, S100A6 TSHR 4066/4885CASP6 2212/4885L3MBTL1 1481/4885
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885CASP6 323/4885L3MBTL1 1394/4885
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF IRAK4, IRAK2, IRAK3 TSHR 2572/4885CASP6 1303/4885L3MBTL1 154/4885
US-20250154140-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF BAK1, BAX, BCL2 TSHR 4782/4885CASP6 52/4885L3MBTL1 2944/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3319/4885CASP6 323/4885L3MBTL1 1394/4885

“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.