SCHEMBL7108756

SCHEMBL7108756

Cc1nn(C(C)(C)C)c(N)c1N=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.43
RIPK2 O43353 3/20 0.33
IKBKB O14920 1/20 0.31
IKBKE Q14164 1/20 0.31
CASP6 P55212 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL5234292 0.74 HTT (0.49) HTTKMT2AHPGDSMN1; SMN2MAPT
SCHEMBL33722 0.73 SMN1; SMN2 (0.52) HPGDSMN1; SMN2RIPK2IKBKBIKBKE
Hydrochloric Acid SCHEMBL7113251 0.71 SMN1; SMN2 (0.50) HPGDSMN1; SMN2RIPK2IKBKBIKBKE
SCHEMBL11862074 0.69 HTT (0.45) HTTKMT2ASMN1; SMN2MAPTCASP6
SCHEMBL22286223 0.68 HPGD (0.47) KMT2AHPGDSMN1; SMN2RIPK2IKBKB
SCHEMBL18867444 0.68 HPGD (0.44) KMT2AHPGDSMN1; SMN2RIPK2IKBKB
SCHEMBL7118896 0.68 HPGD (0.35) HPGDSMN1; SMN2
SCHEMBL4171724 0.67 HPGD (0.46) KMT2AHPGDSMN1; SMN2RIPK2IKBKB
SCHEMBL4506860 0.65 ALDH1A1 (0.45) HTTKMT2AHPGDSMN1; SMN2MAPT
SCHEMBL21721135 0.64 SMN1; SMN2 (0.43) KMT2AHPGDSMN1; SMN2PARP1

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-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP disclosed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 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 HTT 4327/4885KMT2A 1275/4885HPGD 672/4885
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 1275/4885HPGD 672/4885

“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.