SCHEMBL2267809

SCHEMBL2267809

Cc1nn2nc(-c3ccccc3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 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
SCHEMBL15295085 0.85 GSK3B (0.45) PARP1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2269185 0.81 PARP1 (0.44) PARP1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL15295087 0.79 KDM4E (0.44) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL10056720 0.79 HPGD (0.43) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL2267883 0.79 SMN1; SMN2 (0.48) PARP1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2270718 0.79 ADORA3 (0.44) PARP1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL10056685 0.75 ALDH1A1 (0.48) PARP1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL13325529 0.73 NPY5R (0.48) PARP1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2268955 0.72 KDM4E (0.47) PARP1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL10056730 0.72 PDE5A (0.42) KDM4EMAPTL3MBTL1ALDH1A1HPGD

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 21 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-2253672-B1 AZO PIGMENTS AND DISPERSION, COLORING COMPOSITION AND INK FOR INK-JET RECORDING CONTAINING THE AZO PIGMENTS, INK-JET RECORDING METHOD AND RECORDED PRODUCT FUJIFILM CORP (JP) 2016-11-23 EP disclosed
EP-2175830-B1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES ORÉAL L (FR) 2015-09-30 EP disclosed
US-8043385-B2 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 S.A. (FR) 2011-10-25 US disclosed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US disclosed
US-20110018946-A1 AZO COMPOUNDS, AZO PIGMENTS, AND DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO COMPOUNDS OR AZO PIGMENTS, INK TANK FOR INKJET RECORDING, INKJET RECORDING METHOD, AND RECORDED PRODUCTS FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110018946-A1 AZO COMPOUNDS, AZO PIGMENTS, AND DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE AZO COMPOUNDS OR AZO PIGMENTS, INK TANK FOR INKJET RECORDING, INKJET RECORDING METHOD, AND RECORDED PRODUCTS FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US disclosed
US-20100263138-A1 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 S.A. (FR) 2010-10-21 US 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 (5 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-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN PARP1 4135/4885NPC1 3579/4885RAB9A 3629/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM PARP1 2891/4885NPC1 3930/4885RAB9A 3265/4885
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing KRT18, ZYX, CBR3 PARP1 1087/4885NPC1 4689/4885RAB9A 3824/4885
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent KRT18, PPOX, NOX5 PARP1 484/4885NPC1 4879/4885RAB9A 4577/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 PARP1 386/4885NPC1 4483/4885RAB9A 4259/4885

“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.