SCHEMBL3735430

SCHEMBL3735430

CCc1nc2ccccc2nc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ PDE10A Q9Y233 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GPR3 P46089 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAD52 P43351 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL2491027 0.85 KDM4E (0.53) LMNAALDH1A1MAPK1POLBKDM4E
Ammonia Solution, Strong SCHEMBL28585108 0.83 KDM4E (0.52) LMNAALDH1A1MAPK1POLBKDM4E
SCHEMBL7074713 0.83 PDE10A (0.56) LMNAPDE10AALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL28608867 0.81 KDM4E (0.50) LMNAALDH1A1MAPK1POLBKDM4E
SCHEMBL22342229 0.81 ALDH1A1 (0.55) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL16424551 0.80 LMNA (0.51) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL14473916 0.80 LMNA (0.51) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL4355754 0.80 LMNA (0.56) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL4344595 0.80 LMNA (0.51) LMNAPDE10AALDH1A1MAPK1POLB
SCHEMBL11328179 0.79 PDE10A (0.53) LMNAPDE10AALDH1A1MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228151-A QUINOXALINE DIOXIDE L'OREAL (FR) 1980-10-14 — — US claimed
CN-117945995-A Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof 中国科学院青海盐湖研究所 2024-04-30 — — CN disclosed
WO-2021116872-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CABOTEGRAVIR VIIV HEALTHCARE COMPANY (US) 2021-06-17 — — WO disclosed
WO-2017205078-A1 METHODS FOR TREATING HEPATITIS B VIRUS INFECTIONS USING NS5A, NS5B OR NS3 INHIBITORS GILEAD SCIENCES, INC. (US) 2017-11-30 — — WO disclosed
WO-2017184670-A2 METHODS FOR TREATING ZIKA VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2017-10-26 — — WO disclosed
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 — — US disclosed
EP-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 — — EP disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 — — US disclosed
WO-2015095430-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2015-06-25 — — WO disclosed
CN-102143951-A Tri-substituted pyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORP 2011-08-03 — — CN disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 — — US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 — — US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 — — US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 — — US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 — — US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 — — US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 — — US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 — — US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 — — US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 — — 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 (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-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 LMNA 4739/4885PDE10A 793/4885ALDH1A1 1308/4885

“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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