SCHEMBL6811036

SCHEMBL6811036

C#CCOc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
RAB9A P51151 1/20 0.50
DRD2 P14416 1/20 0.50
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
MIF P14174 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
APP P05067 1/20 0.46
AGTR1 P30556 1/20 0.46

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
SCHEMBL29679041 1.00 CA12 (0.54) CA12CA1CA2CA4CA7
SCHEMBL9835737 0.89 MAOB (0.54) CA12CA1CA2CA4CA7
SCHEMBL10347560 0.89 MAPT (0.56) CA12CA2CA9DRD2MAPT
SCHEMBL30663731 0.89 MAPT (0.56) CA12CA2CA9DRD2MAPT
Hydrochloric Acid SCHEMBL21694039 0.87 MAPT (0.55) CA12CA2CA9DRD2MAPT
SCHEMBL8195926 0.83 MAOB (0.50) L3MBTL1MAPTMAOBTDP1CYP1A2
SCHEMBL16378462 0.82 IDO1 (0.43) CA12CA2CA9L3MBTL1DRD2
SCHEMBL4090880 0.82 SMN1; SMN2 (0.50) CA12CA2CA9L3MBTL1DRD2
SCHEMBL5685999 0.82 SMN1; SMN2 (0.59) CA12CA1CA2CA4CA7
SCHEMBL26949012 0.81 MAOB (0.53) DRD2POLBMAOBMAOAPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
WO-2022213932-A1 PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF 广州必贝特医药股份有限公司 2022-10-13 WO disclosed
CN-114761410-A Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2022-07-15 CN disclosed
CN-109096212-B Method for synthesizing 5-I-1,2, 3-triazole compound by water phase one-pot method 河南师范大学 2021-07-13 CN disclosed
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
CN-109096212-A A kind of method of water phase one pot process 5-I-1,2,3- triazole compound 河南师范大学 2018-12-28 CN disclosed
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-12-04 US disclosed
US-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-04-27 US disclosed
EP-3145512-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-03-29 EP disclosed
CN-103980213-B Olefin conversion-1,2,3-triazole compound with bacteriostatic activity and preparation method thereof HENAN NORMAL UNIVERSITY (CN) 2016-04-27 CN disclosed
CN-103058943-B Diniconazole-1, 2, 3-triazole compound with antibacterial activity and preparation method thereof UNIV HENAN NORMAL 2015-05-06 CN disclosed
CN-103980213-A Diniconazole-1,2,3-triazole compounds with antibacterial activity and preparation method thereof UNIV HENAN NORMAL 2014-08-13 CN disclosed
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP disclosed
CN-103058943-A Diniconazole-1, 2, 3-triazole compound with antibacterial activity and preparation method thereof UNIV HENAN NORMAL 2013-04-24 CN disclosed
WO-2008081282-A2 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS S.A. (US) 2008-07-10 WO disclosed
WO-2004002981-A2 HERBICIDAL THIENYLALKYNES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed
EP-0873993-B1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-02-20 EP disclosed
US-5919814-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0873993-A1 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-10-28 EP disclosed
US-4604397-A Certain benzo-(pyrano and thiopyrano)-pyridines, useful as CNS agents CIBA-GEIGY CORPORATION (US) 1986-08-05 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 (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-20170114063-A1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS BTK, BCL9, LCK CA12 3785/4885CA1 3296/4885CA2 3325/4885
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors BTK, BCL9, LCK CA12 3785/4885CA1 3296/4885CA2 3325/4885

“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.