SCHEMBL277777

SCHEMBL277777

Oc1ccc2[nH]ncc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.59
NOS1 P29475 4/20 0.59
ROCK1 Q13464 4/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 2/20 0.59
METAP2 P50579 1/20 0.59
CSNK2A1 P68400 1/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
FGFR1 P11362 3/20 0.56
FGFR2 P21802 2/20 0.56
FGFR3 P22607 1/20 0.56
CLK1 P49759 2/20 0.53
GSK3B P49841 2/20 0.53

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
SCHEMBL29520931 1.00 ROCK2 (0.59) ROCK2NOS1ROCK1MAPTGAA
Hydrochloric Acid SCHEMBL27782875 0.98 ROCK2 (0.57) ROCK2NOS1ROCK1MAPTGAA
Fumaric Acid SCHEMBL5990331 0.86 ROCK2 (0.48) ROCK2NOS1ROCK1MAPTGAA
Fumaric Acid SCHEMBL5990339 0.86 ROCK2 (0.48) ROCK2NOS1ROCK1MAPTGAA
SCHEMBL27663173 0.84 FGFR1 (0.74) ROCK2NOS1ROCK1MAPTGAA
SCHEMBL29741144 0.83 FGFR1 (0.72) NOS1MAPTGAAMETAP2KDM4E
SCHEMBL177086 0.83 FGFR1 (0.72) NOS1MAPTGAAMETAP2KDM4E
SCHEMBL17291792 0.82 NOS1 (0.82) ROCK2NOS1ROCK1MAPTGAA
Tert-Butyl Formate SCHEMBL28317369 0.81 ROCK1 (0.44) ROCK2NOS1ROCK1MAPTGAA
SCHEMBL3540025 0.74 NOS1 (1.00) ROCK2NOS1ROCK1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954826-A Compound, preparation method and application thereof, lithium ion battery electrolyte additive and electrolyte 华鼎国联动力电池有限公司 2025-05-09 CN claimed
CN-105734586-B A kind of organic-silicon-modified corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2018-04-10 CN claimed
US-9486892-B2 Polishing composition FUJIMI INCORPORATED (JP) 2016-11-08 US claimed
WO-2016154694-A1 N-ACYLHYDRAZONE COMPOUNDS INHIBITING HISTONE DESACETYLASE ENZYMES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHOD FOR PRODUCING SAME UNIVERSIDADE FEDERAL DO RIO DE JANEIRO-UFRJ (BR) 2016-10-06 WO claimed
CN-105734586-A Organosilicon-modified corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2016-07-06 CN claimed
EP-2493302-A1 HEXAHYDROCYCLOPENTYL[F]INDAZOLE PYRIDYL ETHANOLS AND DERIVATIVES THEREOF AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2012-09-05 EP claimed
WO-2011053567-A1 HEXAHYDROCYCLOPENTYL[F]INDAZOLE PYRIDYL ETHANOLS AND DERIVATIVES THEREOF AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-05-05 WO claimed
CN-101528707-A 2- [ 1-phenyl-5-hydroxy or methoxy-4 alpha-methyl-hexahydrocyclopenta [ f ] indazol-5-yl ] ethylphenyl derivatives useful as glucocorticoid receptor ligands MERCK & CO INC (US) 2009-09-09 CN claimed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
US-4168953-A Oxidation hair dyes based upon tetraaminopyrimidine developers and monohydroxyindazole couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-09-25 US claimed
US-12630566-B2 KRas G12D inhibitors Mirati Therapeutics, Inc. (US) 2026-05-19 US disclosed
US-12545689-B2 Macrocyclic LRRK2 kinase inhibitors ONCODESIGN PRECISION MEDICINE (FR) 2026-02-10 US disclosed
US-20260034140-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2026-02-05 US disclosed
US-20260034127-A1 TREATMENT OF GVHD KADMON CORP LLC (FR) 2026-02-05 US disclosed
US-4723020-A Chromogenic amino acid esters and peptide esters MILES LABORATORIES, INC. (US) 1988-02-02 US disclosed
EP-0157360-A2 Chromogenic esters of amino acids and peptides, processes for their preparation, use of these agents in methods of analysis and agents for detection of esterolytic and/or proteolytic enzymes MILES INC. (US) 1985-10-09 EP disclosed
US-4168953-A Oxidation hair dyes based upon tetraaminopyrimidine developers and monohydroxyindazole couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-09-25 US disclosed
US-3939084-A Functional fluid compositions containing substituted pyrimidines MONSANTO COMPANY (US) 1976-02-17 US 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 (5 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-12545689-B2 Macrocyclic LRRK2 kinase inhibitors LRRK2, SNCA, ROS1 ROCK2 98/4885NOS1 1180/4885ROCK1 39/4885
US-20260034140-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA ROCK2 2/4885NOS1 352/4885ROCK1 1/4885
US-20260034127-A1 TREATMENT OF GVHD ROCK2, RHOA, MYH2 ROCK2 1/4885NOS1 1773/4885ROCK1 4/4885
US-12630566-B2 KRas G12D inhibitors KRAS, NRAS, HRAS ROCK2 101/4885NOS1 3240/4885ROCK1 41/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 ROCK2 4817/4885NOS1 2710/4885ROCK1 4757/4885

“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.