SCHEMBL11973835

SCHEMBL11973835

C=CCc1[nH]nc(N)c1N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL4264379 0.70 — —
SCHEMBL15202449 0.65 NPSR1 (0.30) NPSR1
SCHEMBL9787463 0.61 LTB4R (0.49) KDM4ENPSR1
SCHEMBL3433172 0.61 — —
SCHEMBL10362767 0.61 — —
SCHEMBL11210558 0.61 NPSR1 (0.44) NPSR1
SCHEMBL461574 0.61 — —
SCHEMBL4078236 0.60 — —
Hydrochloric Acid SCHEMBL11211543 0.60 NPSR1 (0.43) NPSR1
SCHEMBL5491905 0.59 NPSR1 (0.39) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103491938-B Comprise the oxidative dye compositions of 1 hexyl/heptyl 4,5 diamino-pyrazole and m-aminophenol and its derivant 宝洁公司 2017-03-08 — — CN disclosed
CN-103379939-B Comprise the oxidative dye compositions of 1 hexyl/heptyl 4,5 diamino-pyrazole and pyridine and its derivatives 宝洁公司 2016-12-07 — — CN disclosed
CN-103379894-B Comprise 1-hexyl/heptyl-4,5-diamino-pyrazole and 1,3-phenylenediamine and the oxidative dye compositions of derivant thereof 宝洁公司 2016-11-02 — — CN disclosed
CN-103442682-B Oxidative dyeing composition comprising 1-hexyl/heptyl-4, 5-diaminopyrazole and naphthalen-1-ol and derivatives thereof 宝洁公司 2016-08-31 — — CN disclosed
CN-103491937-B Oxidative dyeing composition comprising 1-hexyl/heptyl-4, 5-diaminopyrazole and 2-aminophenol and derivatives thereof 宝洁公司 2016-08-31 — — CN disclosed
CN-103533919-B Oxidative dyeing composition comprising 1-hexyl/heptyl-4, 5-diaminopyrazole and 1, 3-benzenediol and derivatives thereof 宝洁公司 2016-06-15 — — CN disclosed
CN-103458863-B Comprise 1-hexyl/heptyl-4, the oxidative coloration composition of 5-diamino-pyrazole and benzo [1,3] dioxole-5-base amine and derivative thereof THE PROCTER & GAMBLE CO. (US) 2016-05-04 — — CN disclosed
CN-103533919-A Oxidative dyeing composition comprising 1-hexyl/heptyl-4, 5-diaminopyrazole and 1, 3-benzenediol and derivatives thereof PROCTER & GAMBLE 2014-01-22 — — CN disclosed
CN-103491937-A Oxidative dyeing composition comprising 1-hexyl/heptyl-4, 5-diaminopyrazole and 2-aminophenol and derivatives thereof PROCTER & GAMBLE 2014-01-01 — — CN disclosed
CN-103491938-A Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a m-aminophenol and derivatives thereof PROCTER & GAMBLE 2014-01-01 — — CN disclosed
CN-103458863-A Oxidative dyeing composition comprising 1-hexyl/heptyl-4,5-diaminopyrazole and benzo[1,3]dioxol-5-ylamine and derivatives thereof PROCTER & GAMBLE 2013-12-18 — — CN disclosed
CN-103442682-A Oxidative dyeing composition comprising 1-hexyl/heptyl-4, 5-diaminopyrazole and naphthalen-1-ol and derivatives thereof PROCTER & GAMBLE 2013-12-11 — — CN disclosed
CN-103379939-A Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a pyridine and derivatives thereof PROCTER & GAMBLE 2013-10-30 — — CN disclosed
CN-103379894-A Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a benzene-1,3-diamine and derivatives thereof PROCTER & GAMBLE 2013-10-30 — — CN disclosed
WO-2013105992-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A PYRIDINE AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-07-18 — — WO disclosed
US-8460397-B2 Oxidative dyeing compositions comprising an 1-hexyl/heptyl-4,5-diaminopyrazole and a pyridine and derivatives thereof THE PROCTER & GAMBLE COMPANY (US) 2013-06-11 — — US disclosed
US-20120210526-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Pyridine and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 — — 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 (1 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-20120210526-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Pyridine and Derivatives Thereof KRT18, NOX4, AOC1 KDM4E 1706/4885NPSR1 3981/4885

“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.

Send feedback