SCHEMBL5234292

SCHEMBL5234292

Cc1nn(C)c(N)c1N=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.46
CASP6 P55212 1/20 0.37
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GAA P10253 1/20 0.35
CDK8 P49336 2/20 0.33
ACVR1 Q04771 2/20 0.33
KDM4E B2RXH2 2/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
Hydrochloric Acid SCHEMBL11320851 0.98 HTT (0.47) HTTKMT2AMAPTPKMCASP6
SCHEMBL13784861 0.77 GAA (0.39) HTTKMT2AMAPTPKMGAA
SCHEMBL7108756 0.74 HTT (0.45) HTTKMT2AMAPTCASP6HPGD
SCHEMBL11862074 0.74 HTT (0.45) HTTKMT2AMAPTCASP6GAA
SCHEMBL5200953 0.74 HTT (0.42) HTTKMT2AMAPTCASP6GAA
SCHEMBL2467004 0.69
SCHEMBL34154 0.69
SCHEMBL5655367 0.69 SMN1; SMN2 (0.68) HTTKMT2AMAPTNPC1ALDH1A1
SCHEMBL5201246 0.69 MAPT (0.47) HTTKMT2AMAPTCASP6CDK8
SCHEMBL9384732 0.68 ADORA1 (0.42) HTTKMT2AMAPTCDK9CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 WO disclosed
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
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 (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-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 HTT 4327/4885KMT2A 1275/4885MAPT 186/4885
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 HTT 4327/4885KMT2A 1275/4885MAPT 186/4885
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 HTT 4670/4885KMT2A 1914/4885MAPT 857/4885

“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.