SCHEMBL900306

SCHEMBL900306

c1ccc2c(c1)ncn2-c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.75
FGFR1 P11362 4/20 0.66
POLB P06746 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
THRB P10828 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CYP17A1 P05093 1/20 0.57
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57

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
Hydrochloric Acid SCHEMBL7975855 0.98 HTT (0.72) HTTFGFR1POLBCYP1A2CYP3A4
SCHEMBL30402227 0.88 HTT (0.88) HTTFGFR1POLBMAPTKMT2A
SCHEMBL3419279 0.88 HTT (0.88) HTTFGFR1POLBMAPTKMT2A
SCHEMBL157265 0.86 HTT (1.00) HTTFGFR1
Benzene SCHEMBL14876970 0.86 HTT (1.00) HTTFGFR1
SCHEMBL4891428 0.84 HTT (0.96) HTTFGFR1
SCHEMBL467858 0.84 HTT (0.96) HTTFGFR1
Iodide SCHEMBL30645138 0.84 HTT (0.96) HTTFGFR1
SCHEMBL27724758 0.84 HTT (0.96) HTTFGFR1
SCHEMBL2531256 0.82 HTT (0.78) HTTFGFR1POLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162804-A Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2000-12-19 US claimed
CN-115215861-A Aromatic heterocycle substituted alkyne compound and preparation method and application thereof 上海翊石医药科技有限公司 2022-10-21 CN disclosed
CN-111978301-B Benzimidazole compound with endothelial lipase inhibition effect and application thereof 盐城师范学院 2022-08-02 CN disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
EP-2621913-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
WO-2012044537-A1 SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2011151619-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE ASSOCIATED DISEASE SUMMIT CORPORATION PLC (GB) 2011-12-08 WO disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 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 (2 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 HTT 1107/4885FGFR1 1543/4885POLB 118/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 HTT 1107/4885FGFR1 1543/4885POLB 118/4885

“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.