SCHEMBL7107364

SCHEMBL7107364

Cc1ccc(-c2n[nH]c(N)c2N(C)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2A P29274 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
ADORA1 P30542 1/20 0.38
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPT P10636 1/20 0.36
DPP4 P27487 1/20 0.36
DHFR P00374 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL7107379 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2ARAB9AHPGD
SCHEMBL7111905 0.87 GSK3B (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL7114450 0.85 ADORA2A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5202853 0.74 MEN1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7109348 0.72 METAP2 (0.37) ALDH1A1TDP1HPGDKDM4EGAA
SCHEMBL2623413 0.69 CHKA (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL21775849 0.68 MEN1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL4005629 0.68 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5236193 0.67 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL3050460 0.66 TSHR (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1

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 9 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 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
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

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 ALDH1A1 653/4885SMN1; SMN2 4233/4885MEN1 4103/4885
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 ALDH1A1 653/4885SMN1; SMN2 4233/4885MEN1 4103/4885

“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.