SCHEMBL8664085

SCHEMBL8664085

C=CCn1ncc(N)c1N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 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
SCHEMBL6159480 0.80 SMN1; SMN2 (0.34) RAB9ASMN1; SMN2TSHR
SCHEMBL10987649 0.80 TSHR (0.50) RAB9ASMN1; SMN2TSHR
SCHEMBL5161017 0.78
SCHEMBL15190352 0.76
SCHEMBL2076292 0.76 PKM (0.51)
SCHEMBL2923881 0.75 TSHR (0.34) TSHR
SCHEMBL6002646 0.75 TSHR (0.34) TSHR
SCHEMBL22118930 0.74 TSHR (0.34) SMN1; SMN2TSHR
SCHEMBL2077100 0.74 TSHR (0.54) RAB9ASMN1; SMN2TSHR
SCHEMBL9228469 0.73 ALDH1A1 (0.36) RAB9ASMN1; SMN2TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628730-B1 TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS NOXELL CORP (US) 2017-12-06 EP claimed
WO-2013122989-A1 TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 WO claimed
US-20130217891-A1 Telescoping Synthesis of 5-Amino-4-Nitroso-1-Alkyl-1H-Pyrazole Salt THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US claimed
EP-2628730-A1 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salts The Procter and Gamble Company (US) 2013-08-21 EP claimed
US-5718731-A Oxidation hair dye composition based on 4,5-diaminopyrazole and m-phenylenediamine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1998-02-17 US claimed
EP-0692245-B1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives WELLA AG (DE) 1997-05-02 EP claimed
EP-0692245-A1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives Wella Aktiengesellschaft (DE) 1996-01-17 EP claimed
JP-8012540-A None JP disclosed
EP-2628730-B1 TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS NOXELL CORP (US) 2017-12-06 EP disclosed
CN-104105689-A Synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salt by telescoping PROCTER & GAMBLE 2014-10-15 CN disclosed
US-8785656-B2 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salt THE PROCTER & GAMBLE COMPANY (US) 2014-07-22 US disclosed
US-8785656-B2 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salt THE PROCTER & GAMBLE COMPANY (US) 2014-07-22 US disclosed
WO-2013122989-A1 TELESCOPING SYNTHESIS OF 5-AMINO-4-NITROSO-1-ALKYL-1H-PYRAZOLE SALTS THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 WO disclosed
US-20130217891-A1 Telescoping Synthesis of 5-Amino-4-Nitroso-1-Alkyl-1H-Pyrazole Salt THE PROCTER & GAMBLE COMPANY (US) 2013-08-22 US disclosed
EP-2628730-A1 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salts The Procter and Gamble Company (US) 2013-08-21 EP disclosed
EP-2628730-A1 Telescoping synthesis of 5-amino-4-nitroso-1-alkyl-1H-pyrazole salts The Procter and Gamble Company (US) 2013-08-21 EP disclosed
US-5718731-A Oxidation hair dye composition based on 4,5-diaminopyrazole and m-phenylenediamine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0692245-B1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives WELLA AG (DE) 1997-05-02 EP disclosed
EP-0692245-A1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives Wella Aktiengesellschaft (DE) 1996-01-17 EP disclosed
JP-H0812540-A OXIDATION HAIR DYE COMPOSITION BASED ON 4,5-DIAMINOPYRAZOLE DERIVATIVE AND META-PHENYLENEDIAMINE DERIVATIVE WELLA AG 1996-01-16 JP 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-20130217891-A1 Telescoping Synthesis of 5-Amino-4-Nitroso-1-Alkyl-1H-Pyrazole Salt NOX5, PPOX, PAOX RAB9A 2825/4885SMN1; SMN2 4389/4885TSHR 1296/4885

“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.