SCHEMBL6662018

SCHEMBL6662018

Nc1c(CNc2cccc(O)c2)nn(CCO)c1N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.35
HTR7 P34969 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
MAOB P27338 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HTR2A P28223 1/20 0.33
CSNK1D P48730 1/20 0.33
ESR1 P03372 1/20 0.33

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 SCHEMBL6659760 0.99 TAAR1 (0.36) BCHEACHEGAAHTR7TAAR1
SCHEMBL6658851 0.89 GAA (0.36) GAAKDRFLT3KMT2AHDAC6
Hydrochloric Acid SCHEMBL6665685 0.88 GAA (0.35) GAAKDRFLT3KMT2AHDAC6
SCHEMBL6660442 0.85 GAA (0.42) GAATAAR1KDRFLT3MAOB
SCHEMBL6659417 0.84 MEN1 (0.36) BCHEGAAKMT2AESR1
Hydrochloric Acid SCHEMBL6660111 0.84 GAA (0.41) GAATAAR1KDRFLT3MAOB
Hydrochloric Acid SCHEMBL6663229 0.83 MAPT (0.36) BCHEGAATAAR1KMT2AESR1
SCHEMBL6659051 0.81 TUBB4A (0.42) GAAKDRFLT3KMT2A
SCHEMBL6663221 0.80 MAOA (0.37) GAAKDRFLT3MAOB
Hydrochloric Acid SCHEMBL6663746 0.80 TUBB4A (0.44) GAAKDRFLT3KMT2A

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 10 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-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-01-02 EP claimed
WO-2002072556-A1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO 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 BCHE 3511/4885ACHE 811/4885GAA 1099/4885

“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.