SCHEMBL725176

SCHEMBL725176

CCCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.54
▸ CYSLTR1 Q9Y271 3/20 0.50
▸ GPBAR1 Q8TDU6 3/20 0.50
▸ CYSLTR2 Q9NS75 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 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
Iodide SCHEMBL1343671 0.98 PDE10A (0.53) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL29047068 0.98 PDE10A (0.53) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL10910525 0.93 GPBAR1 (0.51) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL28709736 0.93 PDE10A (0.49) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
Sulfuric Acid SCHEMBL28294778 0.89 CYP1A2 (0.50) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL538491 0.88 GPBAR1 (0.54) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL2913941 0.87 PDE10A (0.61) PDE10ACYSLTR1CYSLTR2CYP1A2
SCHEMBL860157 0.86 KCNH2 (0.58) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
Hydrochloric Acid SCHEMBL27600363 0.86 GPBAR1 (0.52) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
Bromide SCHEMBL27600369 0.86 GPBAR1 (0.52) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118102874-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2024-05-28 — — CN claimed
CN-116768796-A Novel pyrazole-3-carboxamide derivative and preparation method and application thereof 河北农业大学 2023-09-19 — — CN claimed
CN-116634874-A Fungicidal oxadiazoles and mixtures thereof FMC公司 2023-08-22 — — CN claimed
CN-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 — — CN claimed
CN-113980583-A Ultraviolet curing composition glue based on pyridine substituted acrylate compound and using method and application thereof 西安思摩威新材料有限公司 2022-01-28 — — CN claimed
CN-110128371-A A kind of phenthazine benzaldehyde derivative and preparation method thereof, phenthazine quinoline fluorescence probe and its preparation method and application 中国科学院上海微系统与信息技术研究所 2019-08-16 — — CN claimed
CN-109678797-A A method of quickly preparing ABA Receptor agonist 邵阳学院 2019-04-26 — — CN claimed
CN-109111399-A Novel human-derived γ-aminobutyric acid A receptor agonist and preparation method thereof 宁波市农业科学研究院 2019-01-01 — — CN claimed
EP-2608792-B1 METHODS OF ADMINISTERING AN EGFR INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2017-10-11 — — EP claimed
US-20160287591-A1 METHODS OF ADMINISTERING AN EGFR INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-06 — — US claimed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 — — EP claimed
US-8344145-B2 Salts of 2-substituted quinolines INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2013-01-01 — — US claimed
US-20110144154-A1 Salts of 2-Substituted Quinolines INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2011-06-16 — — US claimed
EP-2271343-A1 SALTS OF 2-SUBSTITUTED QUINOLINES Institut de Recherche pour le Développement (FR) 2011-01-12 — — EP claimed
WO-2009144407-A1 SALTS OF 2-SUBSTITUTED QUINOLINES INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2009-12-03 — — WO claimed
WO-2009024095-A1 METHOD OF MAKING AND ADMINISTERING QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-02-26 — — WO claimed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 — — US claimed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 — — WO claimed
WO-2002098966-A2 AROMATIC PRINCIPLES FOR IMPROVING THE STABILITY IN STORAGE AND/OR FOR IMPROVING THE SOLUBILITY OF POLYVINYL ALCOHOLS AND/OR POLYVINYL ALCOHOLS WITH BONDED CELLULOSE DROM FRAGRANCES INTERNATIONAL KG (DE) 2002-12-12 — — WO claimed
US-5541196-A ANTIPROTOZOA AGENTS INSTITUT FRANCAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPMENT EN COOPERATION (ORSTOM) (FR) 1996-07-30 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160287591-A1 METHODS OF ADMINISTERING AN EGFR INHIBITOR EGFR, ERBB2, ERBB3 PDE10A 3400/4885CYSLTR1 2384/4885GPBAR1 38/4885
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents HCCS, GLS2, NQO1 PDE10A 4283/4885CYSLTR1 4159/4885GPBAR1 1506/4885
US-20110144154-A1 Salts of 2-Substituted Quinolines NQO2, SULT2A1, QTRT2 PDE10A 729/4885CYSLTR1 4176/4885GPBAR1 3910/4885

“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.

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