SCHEMBL1074115

SCHEMBL1074115

CNc1c(C)nn(-c2ccccc2)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.60
RAB9A P51151 9/20 0.60
NPC1 O15118 8/20 0.60
HPGD P15428 4/20 0.59
MAPT P10636 10/20 0.54
TDP1 Q9NUW8 5/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 5/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX12 P18054 1/20 0.48
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.44

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
SCHEMBL20037217 0.81 MEN1 (0.60) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL34059 0.79 SMN1; SMN2 (0.72) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL2461662 0.79 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL13286005 0.79 MEN1 (0.49) SMN1; SMN2RAB9ANPC1HPGDMAPT
Hydrochloric Acid SCHEMBL5228080 0.78 SMN1; SMN2 (0.70) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL11653180 0.78 GLA (0.58) SMN1; SMN2RAB9ANPC1HPGDTDP1
SCHEMBL1800187 0.77 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL13860516 0.77 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL1143440 0.76 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL11836620 0.76 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011619-B2 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2012-07-04 EP claimed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
EP-1345580-B9 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2009-11-25 EP claimed
EP-1345580-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2006-06-07 EP claimed
EP-1011619-B1 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2005-09-14 EP claimed
EP-1345579-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND OREAL (FR) 2005-06-29 EP claimed
US-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method L'OREAL (FR) 2004-12-02 US claimed
US-6780203-B1 DIAMINOPYRAZOLE DERIVATIVE OXIDATION HAIR DYE AND 3-AMINO-2-CHLORO-6- METHYLPHENOL OR SALT COUPLER L'ORéAL S.A. (FR) 2004-08-24 US claimed
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound L'OREAL (FR) 2004-05-13 US claimed
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound L'OREAL (FR) 2004-04-22 US claimed
WO-2002051372-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
WO-2002051373-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
WO-2002051371-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2002-05-02 US claimed
WO-2001034104-A1 COLOURING AGENT FOR KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO claimed
US-6099592-A SPECIFIED 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES SUCH AS 1-BENZYL-4,5-DIAMINO-3-METHYLPYRAZOLE AS OXIDATION DYE PRECURSORS; USE TO OBTAIN DYE COMPOSITIONS LEADING TO STRONG COLORATIONS, IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2000-08-08 US claimed
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP claimed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO claimed
EP-0740931-B1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation OREAL (FR) 1997-08-20 EP claimed
EP-0740931-A1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation L'OREAL (FR) 1996-11-06 EP 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 (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-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 SMN1; SMN2 4233/4885RAB9A 4445/4885NPC1 4868/4885
US-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method KRT18, TUBB3, PPOX SMN1; SMN2 4815/4885RAB9A 4699/4885NPC1 4852/4885
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound KRT18, TUBB3, COX5A SMN1; SMN2 4794/4885RAB9A 4580/4885NPC1 4865/4885
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound KRT18, TUBB3, COX5A SMN1; SMN2 4695/4885RAB9A 4556/4885NPC1 4853/4885

“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.