SCHEMBL1898513

SCHEMBL1898513

O=C(O)c1cc2[nH]ccn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
KDM4E B2RXH2 2/20 0.36
PLAT P00750 1/20 0.35
RPA1 P27694 2/20 0.33
HCAR2 Q8TDS4 3/20 0.32
DAO P14920 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL29977327 0.77 APOBEC3A (0.41) APOBEC3AAPOBEC3GKDM4EPLATRPA1
SCHEMBL7719444 0.74 PLAT (0.47) APOBEC3AAPOBEC3GKDM4EPLATRPA1
SCHEMBL29785677 0.70 PLAT (0.41) APOBEC3AKDM4EPLATRPA1ALDH1A1
SCHEMBL2268926 0.68 HCAR2 (0.42) APOBEC3AAPOBEC3GKDM4EPLATRPA1
SCHEMBL2265845 0.67 PARP1 (0.42) KDM4EALOX15ALDH1A1SMN1; SMN2MAPT
SCHEMBL2265711 0.67 ALOX15 (0.36) APOBEC3AAPOBEC3GKDM4EPLATRPA1
SCHEMBL2272322 0.66 DAO (0.39) APOBEC3AAPOBEC3GPLATRPA1HCAR2
SCHEMBL2267724 0.64 RPA1 (0.44) APOBEC3AAPOBEC3GKDM4ERPA1ALDH1A1
SCHEMBL570553 0.63 NPC1 (0.60) APOBEC3AAPOBEC3GKDM4ETSHRALDH1A1
SCHEMBL2267980 0.62 HCAR2 (0.40) PLATRPA1HCAR2DAOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0891181-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2003-05-14 EP claimed
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing L' OREAL S.A. 2002-01-24 US claimed
US-6231623-B1 OXIDATIVE DYES L'OREAL S.A. (FR) 2001-05-15 US claimed
EP-2182914-B1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'ORÉAL (FR) 2017-11-08 EP disclosed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8802690-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
EP-2499139-B1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2013-12-11 EP disclosed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO disclosed
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 disclosed
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 disclosed
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 disclosed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing L' OREAL S.A. 2002-01-24 US disclosed
US-6231623-B1 OXIDATIVE DYES L'OREAL S.A. (FR) 2001-05-15 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 (4 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-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB APOBEC3A 4616/4885APOBEC3G 4738/4885KDM4E 1385/4885
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing KRT18, ZYX, CBR3 APOBEC3A 4421/4885APOBEC3G 4693/4885KDM4E 1287/4885
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent KRT18, PPOX, NOX5 APOBEC3A 2412/4885APOBEC3G 2378/4885KDM4E 1805/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 APOBEC3A 4131/4885APOBEC3G 4149/4885KDM4E 1620/4885

“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.