SCHEMBL7108739

SCHEMBL7108739

Cc1nn(Cc2ccccc2)c(N)c1N=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
GAA P10253 2/20 0.60
TSHR P16473 2/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.54
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
PTGDR2 Q9Y5Y4 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
SCHEMBL11082853 0.84 KDM4E (0.59) POLBGAAKDM4EKMT2AMAPT
SCHEMBL5740681 0.81 GAA (0.51) POLBGAATSHRKDM4EKMT2A
SCHEMBL33942 0.79 KDM4E (0.75) POLBGAATSHRKDM4EMAPK1
Hydrochloric Acid SCHEMBL7110274 0.78 KDM4E (0.73) POLBGAATSHRKDM4EMAPK1
SCHEMBL20551418 0.76 MAPK1 (0.73) POLBGAATSHRKDM4EMAPK1
SCHEMBL11862074 0.75 HTT (0.45) GAAKDM4EMAPK1KMT2AHTT
SCHEMBL31194566 0.75 MAPK1 (0.71) POLBGAATSHRKDM4EMAPK1
SCHEMBL5769460 0.74 GAA (0.57) POLBGAATSHRKDM4EMAPK1
SCHEMBL4141134 0.73 PIK3CD (0.56) POLBGAAKMT2ACYP1A2CYP3A4
SCHEMBL5655367 0.73 SMN1; SMN2 (0.68) POLBMAPK1KMT2AHTTCYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645258-B2 Oxidation base selected from a 3-substituted 4,5-diaminopyrazoles; reacting L'OREAL, S.A. (FR) 2003-11-11 US disclosed
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 disclosed
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 disclosed
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 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
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 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 (2 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 POLB 909/4885GAA 3834/4885TSHR 4845/4885
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 POLB 909/4885GAA 3834/4885TSHR 4845/4885

“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.