SCHEMBL2274845

SCHEMBL2274845

c1ccc2c(c1)[nH]c1ccnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
DAO P14920 1/20 0.37
PSMB8 P28062 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CDC25B P30305 1/20 0.37
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PARP1 P09874 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
AURKA O14965 1/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL16317806 0.76 PARP1 (0.51) ADORA3RXFP1DAONPSR1ADORA1
SCHEMBL30273082 0.76 PARP1 (0.51) ADORA3RXFP1DAONPSR1ADORA1
SCHEMBL6288469 0.76 PSMB8 (0.36) ADORA3RXFP1PSMB8ALDH1A1PARP1
SCHEMBL29792892 0.74 PARP1 (0.56) ALDH1A1PARP1HPGDCYP1A2
SCHEMBL527381 0.74 PARP1 (0.56) ALDH1A1PARP1HPGDCYP1A2
SCHEMBL7135462 0.74 ALDH1A1 (0.51) ADORA3CDC25BADORA1ADORA2AALDH1A1
SCHEMBL2272351 0.74 ADORA3 (0.36) ADORA3RXFP1PSMB8NPSR1ALDH1A1
SCHEMBL13130996 0.73 DAO (0.46) DAOPARP1GABRPGABRDGABRA1
SCHEMBL29590166 0.72 POLB (0.38) ADORA3RXFP1DAOPSMB8NPSR1
SCHEMBL2270643 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038263-B1 NOVEL AROMATIC AZA HETEROCYCLES, METHOD OF PRODUCTION AND USE OF THE MATERIAL IN ORGANIC ELECTRONICS OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2014-03-05 EP claimed
EP-2038263-A1 NOVEL AROMATIC AZA HETEROCYCLES, METHOD OF PRODUCTION AND USE OF THE MATERIAL IN ORGANIC ELECTRONICS OSRAM Opto Semiconductors GmbH (DE) 2009-03-25 EP claimed
WO-2008006738-A1 NOVEL AROMATIC AZA HETEROCYCLES, METHOD OF PRODUCTION AND USE OF THE MATERIAL IN ORGANIC ELECTRONICS OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2008-01-17 WO claimed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
US-7004979-B2 Dyeing composition comprising at least one diaminopyrazole oxidation base and at least one pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2006-02-28 US claimed
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2004-12-02 US claimed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
US-20030187188-A1 Synthesis of peptoid substituted azole compounds EASTMAN KODAK COMPANY 2003-10-02 US claimed
EP-1319975-A1 Synthesis of peptoid substituted azole compounds EASTMAN KODAK COMPANY (US) 2003-06-18 EP claimed
EP-0485423-A1 PYRAZOLO(1,5-a)BENZIMIDAZOLE COUPLERS. KODAK LTD (GB) 1992-05-20 EP claimed
WO-1992000299-A1 PHENOL SUBSTITUTED PYRAZOLO[1,5-a]BENZIMIDAZOLE COUPLERS EASTMAN KODAK COMPANY (US) 1992-01-09 WO claimed
WO-1991014970-A1 PYRAZOLO[1,5-a]BENZIMIDAZOLE PHOTOGRAPHIC COLOUR COUPLERS KODAK LIMITED (GB) 1991-10-03 WO claimed
WO-1991001984-A1 PYRAZOLO(1,5-a)BENZIMIDAZOLE COUPLERS EASTMAN KODAK COMPANY (US) 1991-02-21 WO claimed
US-4902604-A CATIONIC AZULENE DERIVATIVE; PRINTING PLATES, RESISTS FUJI PHOTO FILM CO., LTD. (JP) 1990-02-20 US claimed
US-4746600-A SHARP IMAGES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1988-05-24 US claimed
US-4477563-A DEVELOPMENT INHIBITION RELEASING COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1984-10-16 US claimed
US-4395483-A CHEMICAL FOGGING, METAL AMMINE COMPLEX SALT FUJI PHOTO FILM CO., LTD. (JP) 1983-07-26 US claimed
US-4146396-A TWO EQUIVALENT COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1979-03-27 US claimed
US-4032346-A 5-OXO-2-PYRAZOLIN-4-YL-AMINE-CARBODITHIOATE-DITHIOCARBONATE FUJI PHOTO FILM CO., LTD. (JA) 1977-06-28 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-20030187188-A1 Synthesis of peptoid substituted azole compounds ERG28, MLNR, DNPEP ADORA3 1457/4885RXFP1 1017/4885DAO 19/4885
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent KRT18, PPOX, NOX5 ADORA3 2289/4885RXFP1 4376/4885DAO 9/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 ADORA3 4155/4885RXFP1 4503/4885DAO 1022/4885

“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.