SCHEMBL2267169

SCHEMBL2267169

COc1ccc(N)c(Nc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.44
DHFR P00374 4/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
EGFR P00533 4/20 0.41
TYMS P04818 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCL6 P41182 2/20 0.41
BACE1 P56817 1/20 0.40
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RET P07949 1/20 0.39

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
SCHEMBL2947601 0.85 NR4A1 (0.56) NPY5RDHFRABCG2TYMSALDH1A1
SCHEMBL6811822 0.84 ALDH1A1 (0.45) ABCG2EGFRALDH1A1CYP3A4MAPT
SCHEMBL7012481 0.83 EGFR (0.36) NPY5RDHFREGFRTYMSMEN1
SCHEMBL13730480 0.83 RPS27 (0.46) EGFRALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL2265910 0.80 MAPT (0.50) ABCG2EGFRALDH1A1MAPTHTT
SCHEMBL2194417 0.78 EGFR (0.45) EGFRMAPTHTTL3MBTL1BCL6
SCHEMBL2270607 0.78 ABCG2 (0.45) ABCG2EGFRMAPTL3MBTL1MEN1
SCHEMBL1625466 0.78 CDK1 (0.39) KDR
SCHEMBL13506395 0.77 CYP1A2 (0.49) NPY5RABCG2EGFRALDH1A1CYP1A2
SCHEMBL2877364 0.77 MAPT (0.45) NPY5RABCG2EGFRALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728499-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler OREAL (FR) 2010-01-06 EP claimed
EP-1728499-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative and a 2,3-diaminopyridine coupler L'OREAL (FR) 2006-12-06 EP claimed
EP-1586302-A1 Dye composition comprising at least one pyrazolopyrimidine as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP claimed
EP-1586303-A1 Dye composition comprising at least one diaminopyrazole as oxidation base and at least one 6-alkoxy-2,3-diaminopyridine as coupler L'OREAL (FR) 2005-10-19 EP 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-1457198-A1 Dyeing composition comprising at least one diaminopyrazole precursor and at least one 6-alcoxy 2,3-diaminopyridine coupler L'OREAL (FR) 2004-09-15 EP 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-6733539-B2 HAIR DYES L'OREAL S.A. (FR) 2004-05-11 US claimed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP claimed
EP-1405628-A1 Dyeing composition comprising at least one pyrazolopyrimidine oxidation base and at least one 6-alkoxy-2,3-diaminopyrimidine coupler L'OREAL (FR) 2004-04-07 EP claimed
US-20020170122-A9 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods L'OREAL S.A. (FR) 2002-11-21 US claimed
US-20020013973-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods PLOS GREGORY (FR) 2002-02-07 US claimed
CN-1324608-A Keratin-fiber oxidation dyeing composition and method of dyeing using said composition OREAL (FR) 2001-12-05 CN claimed
EP-1138318-A2 Composition for oxidative dyeing of keratinous fibres and dyeing process using same L'OREAL (FR) 2001-10-04 EP 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-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
EP-2518071-A1 Imidazopyridine derivatives as PI3K inhibitors Almirall, S.A. (ES) 2012-10-31 EP disclosed
EP-1138318-A2 Composition for oxidative dyeing of keratinous fibres and dyeing process using same L'OREAL (FR) 2001-10-04 EP disclosed
EP-0257399-B1 HAIR DYEING COMPOSITION Beratungslabor für die kosmetische und pharmazeutische Industrie Dipl.-Ing. Karlheinz Schrader (DE) 1991-01-02 EP disclosed
EP-0257399-A2 Hair dyeing composition Beratungslabor für die kosmetische und pharmazeutische Industrie Dipl.-Ing. Karlheinz Schrader (DE) 1988-03-02 EP 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 (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-20020013973-A1 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods KRT18, PPOX, AOX1 NPY5R 3383/4885DHFR 153/4885ABCG2 2986/4885
US-20020170122-A9 Compositions for the oxidation dyeing of keratinous fibers comprising at least one oxidation dye and at least one enzymatic oxidizing agent, and dyeing methods KRT18, PPOX, AOX1 NPY5R 3383/4885DHFR 153/4885ABCG2 2986/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 NPY5R 691/4885DHFR 120/4885ABCG2 2546/4885

“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.