SCHEMBL1801043

SCHEMBL1801043

Cc1nn(Cc2ccc(Cl)cc2)c(N)c1N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.76
GFER P55789 1/20 0.76
POLB P06746 3/20 0.61
SLC2A1 P11166 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
STAT3 P40763 1/20 0.48
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL11655968 0.86 GAA (1.00) GAAGFERPOLBSLC2A1KDM4E
SCHEMBL33942 0.84 KDM4E (0.75) GAAGFERPOLBSLC2A1KDM4E
Hydrochloric Acid SCHEMBL7110274 0.83 KDM4E (0.73) GAAGFERPOLBSLC2A1KDM4E
SCHEMBL8035176 0.76 GAA (0.76) GAAGFERPOLBSLC2A1KDM4E
SCHEMBL18484095 0.75 GAA (0.70) GAAGFERPOLBSLC2A1KDM4E
SCHEMBL16832454 0.74 GAA (0.78) GAAGFERPOLBSLC2A1KDM4E
SCHEMBL3169680 0.72 POLB (0.61) GAAGFERPOLBKDM4EMEN1
SCHEMBL10284722 0.72 POLB (0.57) GAAGFERPOLBSLC2A1KDM4E
SCHEMBL16166445 0.71 GAA (0.56) GAAGFERPOLBSLC2A1KDM4E
SCHEMBL28474950 0.71 SMN1; SMN2 (0.52) GAAGFERPOLBKDM4EMEN1

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 65 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
EP-1404288-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2004-04-07 EP 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
US-6338741-B1 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES, OXIDATION HAIR DYES, STRONG COLORATION IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2002-01-15 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
WO-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO 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 GAA 3834/4885GFER 1731/4885POLB 909/4885
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 GAA 4474/4885GFER 1253/4885POLB 313/4885
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound KRT18, TUBB3, COX5A GAA 4669/4885GFER 1491/4885POLB 245/4885
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound KRT18, TUBB3, COX5A GAA 4579/4885GFER 1159/4885POLB 232/4885

“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.