SCHEMBL6661909

SCHEMBL6661909

CC(C)n1nc(CNc2cccc(O)c2)c(N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CG P48736 3/20 0.40
ABL1 P00519 3/20 0.40
PIK3CA P42336 3/20 0.40
MTOR P42345 2/20 0.40
EGFR P00533 1/20 0.40
HCK P08631 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
PRKDC P78527 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 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
Hydrochloric Acid SCHEMBL7244282 0.99 PIK3CD (0.39) SRCPIK3CDPIK3CBPIK3CGABL1
SCHEMBL6661798 0.87 SRC (0.34) SRCPIK3CDPIK3CGABL1PIK3CA
Hydrochloric Acid SCHEMBL6662612 0.86 SRC (0.34) SRCPIK3CDPIK3CGABL1PIK3CA
SCHEMBL5224955 0.84 MEN1 (0.39) SRCPIK3CDPIK3CBPIK3CGABL1
SCHEMBL6661847 0.84 MAOA (0.38) ALDH1A1CYP1A2KMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL6660875 0.83 MEN1 (0.38) SRCPIK3CDPIK3CBPIK3CGABL1
Hydrochloric Acid SCHEMBL6666456 0.83 NPC1 (0.37) SRCALDH1A1CYP1A2KMT2AMEN1
SCHEMBL6659526 0.81 EGFR (0.41) SRCPIK3CDPIK3CBPIK3CGABL1
Hydrochloric Acid SCHEMBL6661898 0.81 TUBB4A (0.42) SRCPIK3CDPIK3CBPIK3CGABL1
SCHEMBL6659635 0.79 MAOA (0.41) SRCPIK3CDPIK3CGABL1PIK3CA

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
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-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 (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-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX SRC 4281/4885PIK3CD 4362/4885PIK3CB 4049/4885

“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.