SCHEMBL4804121

SCHEMBL4804121

CNc1c(N)cnn1CCO

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
GAA P10253 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
SCHEMBL5421915 0.86 ALOX15 (0.36) GAA
SCHEMBL5414497 0.85 TERT (0.30)
SCHEMBL5416071 0.84 MEN1 (0.32)
SCHEMBL5423579 0.82
SCHEMBL5707080 0.81 CYP1A2 (0.35) CYP1A2
SCHEMBL14445226 0.80 MEN1 (0.34)
SCHEMBL5427359 0.79 CNR1 (0.34)
SCHEMBL5420273 0.79 LRRK2 (0.38)
SCHEMBL5416172 0.79 CDK1 (0.32)
Hydrochloric Acid SCHEMBL5427295 0.78 LRRK2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257249-B1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AG (DE) 2006-11-02 EP claimed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 US claimed
WO-2005023209-A1 AGENT AND METHOD FOR DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-03-17 WO claimed
EP-1313434-B1 OXIDATION DYE WELLA AG (DE) 2005-01-12 EP claimed
US-6793687-B2 YELLOW AND ORANGE RANGE COLORING WELLA AKTIENGESELLSCHAFT (DE) 2004-09-21 US claimed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 US claimed
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-17 US claimed
EP-1313434-A1 OXIDATION DYE Wella Aktiengesellschaft (DE) 2003-05-28 EP claimed
EP-1257249-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES Wella Aktiengesellschaft (DE) 2002-11-20 EP claimed
WO-2002069918-A1 DIAMINOPYRAZOLE DERIVATIVES AND OXIDATION HAIR DYE CONTAINING PYRAZOLONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
WO-2002069919-A1 OXIDATION DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-09-12 WO claimed
EP-3076939-B1 AGENT FOR OXIDATIVELY DYEING HAIR CONTAINING SPECIFIC COMBINATIONS OF DEVELOPERS AND COUPLERS HENKEL AG & CO KGAA (DE) 2019-07-03 EP disclosed
EP-1542647-B1 Use of hair colouring products comprising 5,6-dihydroxyindoline or a physiologically acceptable salt thereof HENKEL AG & CO KGAA (DE) 2014-09-24 EP disclosed
US-7374583-B2 Cationic azacyanine dyes and coloring agents containing said dyes THE PROCTER & GAMBLE COMPANY (US) 2008-05-20 US disclosed
US-20070220685-A1 Cationic azacyanine dyes and coloring agents containing said dyes THE PROCTER & GAMBLE COMPANY (US) 2007-09-27 US disclosed
US-6793687-B2 YELLOW AND ORANGE RANGE COLORING WELLA AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 US disclosed
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-17 US disclosed
US-20030000027-A1 Novel colorant combination HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-01-02 US disclosed
US-5663366-A Process for the synthesis of 4,5-diaminopyrazole derivatives useful for dyeing hair WELLA AKTIENGESELLSCHAT (DE) 1997-09-02 US 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 (4 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-20030159222-A1 Oxidation dye KRT18, NOX4, VIM CYP1A2 384/4885GAA 1882/4885
US-20030000027-A1 Novel colorant combination GPX4, PRDX3, NDUFS5 CYP1A2 157/4885GAA 4298/4885
US-20070220685-A1 Cationic azacyanine dyes and coloring agents containing said dyes KRT18, DNMT1, NUP205 CYP1A2 3304/4885GAA 3810/4885
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives KRT18, AOC1, PPOX CYP1A2 431/4885GAA 4109/4885

“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.