SCHEMBL5224955

SCHEMBL5224955

CC(C)n1nc(CNc2ccc(O)cc2)c(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 5/20 0.39
MAPT P10636 5/20 0.39
BLM P54132 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
THRB P10828 4/20 0.39
KDM4E B2RXH2 4/20 0.39
ALOX15 P16050 3/20 0.39
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 3/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
PLEC Q15149 2/20 0.39
USP2 O75604 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
APAF1 O14727 1/20 0.39

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 SCHEMBL6660875 0.99 MEN1 (0.38) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL6659635 0.89 MAOA (0.41) ALDH1A1GAAKDM4EPOLBEGFR
Hydrochloric Acid SCHEMBL6662598 0.87 MAOA (0.40) ALDH1A1GAAMAPTKDM4EHPGD
SCHEMBL6661847 0.86 MAOA (0.38) MEN1KMT2AALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL6666456 0.84 NPC1 (0.37) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL6660906 0.84 MAOA (0.44) KMT2AALDH1A1GAAMAPTL3MBTL1
SCHEMBL6659526 0.83 EGFR (0.41) MEN1KMT2AALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL7244282 0.83 PIK3CD (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL6661781 0.83 MAOA (0.43) KMT2AALDH1A1GAAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6661898 0.82 TUBB4A (0.42) MEN1KMT2AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP claimed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US claimed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US claimed
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
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP disclosed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US disclosed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US disclosed
EP-1268436-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO 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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 MEN1 4593/4885KMT2A 1914/4885ALDH1A1 193/4885
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX MEN1 4234/4885KMT2A 4542/4885ALDH1A1 128/4885

“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.