SCHEMBL4128709

SCHEMBL4128709

C=CCCc1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.46
TLR8 Q9NR97 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2913941 0.82 PDE10A (0.61) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL2169411 0.81 PDE10A (0.47) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL322184 0.81 CYSLTR1 (0.49) PDE10ACYSLTR2CYSLTR1CYP1A2
SCHEMBL27856432 0.79 CYSLTR1 (0.47) PDE10ACYSLTR2CYSLTR1CYP1A2
Hydrochloric Acid SCHEMBL27834787 0.79 CYSLTR1 (0.47) PDE10ACYSLTR2CYSLTR1CYP1A2
Hydrogen Sulfide SCHEMBL27881046 0.79 CYSLTR1 (0.47) PDE10ACYSLTR2CYSLTR1CYP1A2
Bromide SCHEMBL28854191 0.79 CYSLTR1 (0.47) PDE10ACYSLTR2CYSLTR1CYP1A2
SCHEMBL177540 0.79 PDE10A (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL6798820 0.78 CYSLTR2 (0.53) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL29047068 0.77 PDE10A (0.53) PDE10ACYSLTR2CYSLTR1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US claimed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP claimed
CN-101868447-A Methods of making and administering quinoline derivatives as anticancer agents UNIV HONG KONG POLYTECHNIC 2010-10-20 CN claimed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
US-9321730-B2 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-04-26 US disclosed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP disclosed
EP-2188259-B1 QUINOLINE DERIVATIVES AS ANTI-CANCER AGENTS UNIV HONG KONG POLYTECHNIC (CN) 2013-11-06 EP disclosed
CN-101868447-A Methods of making and administering quinoline derivatives as anticancer agents UNIV HONG KONG POLYTECHNIC 2010-10-20 CN disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
US-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-02-26 US disclosed
EP-1351940-B1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INST RECH DEVELOPPEMENT IRD (FR) 2007-07-25 EP disclosed
EP-1351940-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS Institut de Recherche pour le Développement ( IRD) (FR) 2003-10-15 EP disclosed
WO-2002057238-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (IRD) (FR) 2002-07-25 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 (1 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-20090054482-A1 Method of making and administering quinoline derivatives as anti-cancer agents HCCS, GLS2, NQO1 PDE10A 4283/4885TLR8 4034/4885CYSLTR2 3987/4885

“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.