SCHEMBL6663221

SCHEMBL6663221

Nc1ccc(NCc2nn(CCO)c(N)c2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
NR1I2 O75469 1/20 0.30
ALDH1A1 P00352 1/20 0.30
AHR P35869 1/20 0.30
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL6659746 0.99 MAOA (0.36) MAOAMAOBKDM4EHTTMAPT
SCHEMBL6659417 0.90 MEN1 (0.36) KDM4EHTTMAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL6663229 0.89 MAPT (0.36) KDM4EHTTMAPTGAAALDH1A1
SCHEMBL6660442 0.89 GAA (0.42) MAOAMAOBKDM4EHTTMAPT
Hydrochloric Acid SCHEMBL6660111 0.87 GAA (0.41) MAOAMAOBKDM4EHTTMAPT
SCHEMBL6660618 0.85 NOS1 (0.41) MAOAMAOBKDM4EHTTMAPT
Hydrochloric Acid SCHEMBL6662267 0.84 ADRA2A (0.40) MAOAMAOBKDM4EHTTMAPT
SCHEMBL6658851 0.84 GAA (0.36) KDM4EHTTMAPTGAAKDR
Hydrochloric Acid SCHEMBL6665685 0.83 GAA (0.35) KDM4EMAPTGAAKDRFLT3
SCHEMBL6659239 0.82 ALDH1A1 (0.37) KDM4EHTTMAPTGAAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1232509-C Diaminopyrazole derivatives and dyes containing these compounds P & G KRYROER CO (US) 2005-12-21 CN claimed
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP claimed
CN-1441786-A Novel diamino pyrazole derivatives and dyes containing said compounds WELLA AG (DE) 2003-09-10 CN 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
CN-1232509-C Diaminopyrazole derivatives and dyes containing these compounds P & G KRYROER CO (US) 2005-12-21 CN disclosed
EP-1268436-B1 NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-08-18 EP disclosed
CN-1441786-A Novel diamino pyrazole derivatives and dyes containing said compounds WELLA AG (DE) 2003-09-10 CN 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 MAOA 149/4885MAOB 113/4885KDM4E 4600/4885

“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.