SCHEMBL462871

SCHEMBL462871

Nc1cn(CCO)nc1N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KIT P10721 1/20 0.36
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.31
KDR P35968 5/20 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
SCHEMBL1559261 0.79 MEN1 (0.38) CYP1A2MEN1KMT2AKIT
SCHEMBL12428949 0.78 KDR (0.40) CYP1A2ADORA2AADORA1ADORA2BKDR
SCHEMBL1662829 0.76 MEN1 (0.46) CYP1A2MEN1KMT2AKITKDR
SCHEMBL21070396 0.75 IRAK4 (0.40) CYP1A2MEN1KMT2AKITADORA2A
SCHEMBL1462172 0.74 MAP4K4 (0.35) CYP1A2KDR
SCHEMBL3952615 0.74 KDR (0.31) KDR
SCHEMBL18208037 0.72 KDR (0.58) KDR
SCHEMBL4906079 0.69
SCHEMBL12427864 0.68 RPS6KB1 (0.35) ADORA2AADORA1ADORA2BKDR
SCHEMBL28258977 0.67 ADORA2A (0.34) ADORA2AADORA1ADORA2BKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270647-A1 Oxidative Dyeing Agent For Keratin Fibers Comprising Novel Dye Precursor Combinations HENKEL AG & CO. KGAA (DE) 2023-08-31 US claimed
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP claimed
CN-112312880-B Oxidative hair lightening or hair coloring agents with improved application properties 汉高股份有限及两合公司 2023-09-15 CN disclosed
WO-2023163908-A1 OXIDATIVE DYEING AGENT FOR KERATIN FIBERS COMPRISING NOVEL DYE PRECURSOR COMBINATIONS HENKEL AG & CO. KGAA (DE) 2023-08-31 WO disclosed
CN-112312881-B Oxidative hair lightening or hair coloring agents for secondary coloring prepared cold 汉高股份有限及两合公司 2023-05-09 CN disclosed
EP-3810072-A1 COLD MANUFACTURED OXIDATIVE HAIR LIGHTENING OR HAIR COLORING COMPOSITION FOR LEVEL 2 COLORS Henkel AG & Co. KGaA (DE) 2021-04-28 EP disclosed
EP-3810071-A1 OXIDATIVE HAIR LIGHTENING OR HAIR COLORING COMPOSITION HAVING IMPROVED PERFORMANCE PROPERTIES Henkel AG & Co. KGaA (DE) 2021-04-28 EP disclosed
CN-112312880-A Oxidative hair lighteners or hair colorants with improved application properties 汉高股份有限及两合公司 2021-02-02 CN disclosed
CN-112312881-A Cold-prepared oxidative hair lighteners or hair colorants for secondary coloration 汉高股份有限及两合公司 2021-02-02 CN disclosed
CN-107361508-B Custom dyeing system 卡拉莱特有限公司 2020-11-03 CN disclosed
WO-2019243192-A1 OXIDATIVE HAIR LIGHTENING OR HAIR COLORING COMPOSITION HAVING IMPROVED PERFORMANCE PROPERTIES HENKEL AG & CO. KGAA (DE) 2019-12-26 WO disclosed
EP-1660032-A1 COMPOSITION FOR DYEING HUMAN KERATIN FIBRES, COMPRISING A 1H-PYRAZOLYL-ETHENYL-INDOLIUM DERIVATIVE L'OREAL (FR) 2006-05-31 EP disclosed
WO-2006021256-A1 O-AMINOPHENOL DERIVATIVES AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-03-02 WO disclosed
US-20060000032-A1 Novel coupling components HENKEL AG & CO. KGAA (DE) 2006-01-05 US disclosed
EP-1609455-A1 Hair colouring and bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 2005-12-28 EP disclosed
WO-2005013929-A1 COMPOSITION FOR DYEING HUMAN KERATIN FIBRES, COMPRISING A 1H-PYRAZOLYL-ETHENYL-INDOLIUM DERIVATIVE L'OREAL (FR) 2005-02-17 WO disclosed
US-6783558-B2 USING A COMPOSITION COMPRISING A SPECIFIED RING-FUSED HETEROCYCLE DIRECT DYESTUFF; LONG LASTING BRILLIANT COLORS STABLE AGAINST WASHING KAO CORPORATION (JP) 2004-08-31 US disclosed
US-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 US disclosed
EP-1240892-A2 Hair colouring method and composition comprising a ring-fused heterocycle direct dyestuff Kao Corporation (JP) 2002-09-18 EP disclosed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 EP 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-20230270647-A1 Oxidative Dyeing Agent For Keratin Fibers Comprising Novel Dye Precursor Combinations KRT18, ALDH5A1, COX5A CYP1A2 577/4885MEN1 4819/4885KMT2A 2897/4885
US-20060000032-A1 Novel coupling components KRT18, C9, H1-4 CYP1A2 1427/4885MEN1 821/4885KMT2A 833/4885

“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.