SCHEMBL1800736

SCHEMBL1800736

Nc1c(-c2ccccc2)nn(-c2ccccc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
SRC P12931 5/20 0.51
EGFR P00533 1/20 0.51
BRAF P15056 2/20 0.51
KDR P35968 2/20 0.51
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TP53 P04637 1/20 0.46
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
PLA2G1B P04054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL10542264 0.85 NPC1 (0.69) NPC1RAB9ASMN1; SMN2SRCEGFR
Benzene SCHEMBL27762704 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2SRCBRAF
SCHEMBL21387949 0.83 CYP1A2 (0.52) NPC1RAB9ASMN1; SMN2SRCEGFR
SCHEMBL13860520 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2SRCEGFR
SCHEMBL13698632 0.81 RAB9A (0.60) NPC1RAB9ASMN1; SMN2SRCEGFR
SCHEMBL13860832 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2SRCEGFR
SCHEMBL30150550 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2SRCEGFR
SCHEMBL8309863 0.78 GAA (0.60) NPC1RAB9ASMN1; SMN2SRCEGFR
SCHEMBL1800572 0.76 SRC (0.44) NPC1RAB9ASMN1; SMN2SRCEGFR
SCHEMBL4913392 0.76 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2KDRKMT2A

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 46 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-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
US-6645258-B2 Oxidation base selected from a 3-substituted 4,5-diaminopyrazoles; reacting L'OREAL, S.A. (FR) 2003-11-11 US claimed
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2003-01-30 US 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
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-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
EP-1542647-B1 Use of hair colouring products comprising 5,6-dihydroxyindoline or a physiologically acceptable salt thereof HENKEL AG & CO KGAA (DE) 2014-09-24 EP disclosed
EP-1011619-B2 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2012-07-04 EP disclosed
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 disclosed
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 disclosed
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 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-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 NPC1 4868/4885RAB9A 4445/4885SMN1; SMN2 4233/4885
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 NPC1 4868/4885RAB9A 4445/4885SMN1; SMN2 4233/4885
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 NPC1 4852/4885RAB9A 4699/4885SMN1; SMN2 4815/4885
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound KRT18, TUBB3, COX5A NPC1 4865/4885RAB9A 4580/4885SMN1; SMN2 4794/4885
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound KRT18, TUBB3, COX5A NPC1 4853/4885RAB9A 4556/4885SMN1; SMN2 4695/4885

“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.