SCHEMBL3671367

SCHEMBL3671367

c1ccc(-c2cn3cccnc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 1.00
KDM4E B2RXH2 12/20 1.00
HPGD P15428 7/20 1.00
GLA P06280 4/20 1.00
HSD17B10 Q99714 3/20 1.00
RAB9A P51151 10/20 0.73
NPC1 O15118 7/20 0.73
GAA P10253 6/20 0.73
KMT2A Q03164 5/20 0.73
MAPT P10636 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
MEN1 O00255 3/20 0.73
TP53 P04637 2/20 0.73
POLB P06746 3/20 0.68
GFER P55789 1/20 0.68
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.59
PDE10A Q9Y233 1/20 0.56
ADRB2 P07550 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL9560123 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL5305847 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL17750396 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL17750395 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL1692157 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL17626882 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL1494735 0.85 RAB9A (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL8010439 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL971743 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL9298339 0.85 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGLAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10930853-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-23 US disclosed
CN-110590774-B Trifluoromethyl imidazole condensed ring compound and preparation method thereof 河南中医药大学 2020-09-08 CN disclosed
CN-110590774-A Trifluoromethyl imidazole condensed ring compound and preparation method thereof 河南中医药大学 2019-12-20 CN disclosed
US-9801961-B2 2-phenylimidazo[1,2-a]pyrimidines as imaging agents HOFFMANN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-20170155048-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed
US-9012042-B2 Condensed-cyclic compound, organic light-emitting device comprising the same, and flat panel display apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-21 US disclosed
US-20120286246-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, AND FLAT PANEL DISPLAY APPARATUS SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-11-15 US disclosed
EP-2237788-A2 AEROSOLIZED NITRITE AND NITRIC OXIDE - DONATING COMPOUNDS AND USES THEREOF Aires Pharmaceuticals, Inc. (US) 2010-10-13 EP disclosed
WO-2009086470-A2 AEROSOLIZED NITRITE AND NITRIC OXIDE - DONATING COMPOUNDS AND USES THEREOF AIRES PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed
US-4636502-A Methods of producing a positive inotropic effect or vasodilation by administration of 2-phenyl imidazo pyrimidines and pyrazines ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4578387-A VASODILATION; DERIVATIVES OF 2-PHENYL-5,6,7,8-TETRAHYDROIMADAZO/1,2-A/PYRAZINE ELI LILLY AND COMPANY (US) 1986-03-25 US disclosed
EP-0154494-A2 Phenylimidazole inotropic agents ELI LILLY AND COMPANY (US) 1985-09-11 EP disclosed
US-4537889-A PHENYL SUBSTITUTED IMIDAZO COMPOUNDS ELI LILLY AND COMPANY (US) 1985-08-27 US disclosed
EP-0113236-A1 Substituted imidazopyrimidines-pyrazines, and -triazines ELI LILLY AND COMPANY (US) 1984-07-11 EP disclosed
US-4419289-A YELLOW COLOR FOR POLYESTERS, POLYAMIDES, AND CELLULOSE ESTERS EASTMAN KODAK COMPANY (US) 1983-12-06 US disclosed
US-4396547-A INDOLE, THIADIAZOLE AND MONOAZO DYES EASTMAN KODAK COMPANY (US) 1983-08-02 US disclosed
US-4354970-A YELLOW TEXTILE DYE EASTMAN KODAK COMPANY (US) 1982-10-19 US disclosed
US-4255573-A Imidazoindole derivatives and pharmaceutical compositions comprising imidazoindole derivatives ADHIKARY PARIMAL K 1981-03-10 US disclosed
US-4242513-A CHROMOGENS; PRESSURE AND HEAT SENSITIVE MARKING APPLETON PAPERS INC. (US) 1980-12-30 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-20120286246-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, AND FLAT PANEL DISPLAY APPARATUS OR10J3, AR, ARL1 ALDH1A1 578/4885KDM4E 2875/4885HPGD 4476/4885

“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.