SCHEMBL145302

SCHEMBL145302

Cc1ccc(Cn2ncc(N)c2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40

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
Sulfuric Acid SCHEMBL2912572 0.91 NPC1 (0.56) NPC1LMNATSHRSMN1; SMN2HTT
SCHEMBL3254682 0.91 TSHR (0.55) NPC1LMNATSHRSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6755818 0.89 TSHR (0.53) NPC1LMNATSHRSMN1; SMN2HTT
SCHEMBL17458867 0.86 SMN1; SMN2 (0.51) NPC1LMNATSHRSMN1; SMN2HTT
SCHEMBL6002740 0.85 TSHR (0.50) NPC1LMNATSHRSMN1; SMN2HTT
SCHEMBL6004065 0.85 TSHR (0.50) NPC1LMNATSHRSMN1; SMN2HTT
SCHEMBL33918 0.84 TSHR (0.62) NPC1LMNATSHRSMN1; SMN2HTT
SCHEMBL144813 0.81 TSHR (0.69) TSHRSMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL1801455 0.81 NPBWR1 (0.54) NPC1LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL6243855 0.81 TSHR (0.47) NPC1LMNATSHRSMN1; SMN2HTT

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 1210 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142498-B2 Keratin dyeing compounds, compositions containing them, and method and use thereof WELLA OPERATIONS US, LLC (US) 2021-10-12 US claimed
US-20200247749-A1 KERATIN DYEING COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND METHOD AND USE THEREOF WELLA OPERATIONS US, LLC 2020-08-06 US claimed
WO-2019074736-A1 KERATIN DYEING COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND METHOD AND USE THEREOF NOXELL CORPORATION (US) 2019-04-18 WO claimed
WO-2014202150-A1 NEW CATIONIC DYES, KITS AND COMPOSITIONS THEREOF, AND PROCESS FOR DYEING KERATIN FIBERS ALFA PARF GROUP S.P.A. (IT) 2014-12-24 WO claimed
EP-1011619-B2 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2012-07-04 EP claimed
EP-1598047-B1 Composition for coloring of keratin fibres KPSS KAO GMBH (DE) 2011-11-30 EP claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-7678158-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP claimed
EP-1011619-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 2000-06-28 EP claimed
WO-1999011231-A1 DYEING COMPOSITION FOR KERATIN FIBRES L'OREAL (FR) 1999-03-11 WO claimed
US-5785717-A Composition for the oxidation dyeing of keratin fibers, comprising a diaminopyrazole derivative and a heterocyclic coupler, and dyeing process L'OREAL (FR) 1998-07-28 US claimed
US-5718731-A Oxidation hair dye composition based on 4,5-diaminopyrazole and m-phenylenediamine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1998-02-17 US claimed
EP-0728464-B1 Composition for dyeing keratinous fibers comprising a diaminopyrazole derivative and a heterocyclic coupleur and dyeing process OREAL (FR) 1997-07-30 EP claimed
US-5637115-A Oxidation hair dye compositions containing developers, couplers, and AZO dyes WELLA AKTIENGESELLSCHAT (DE) 1997-06-10 US claimed
EP-0692245-B1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives WELLA AG (DE) 1997-05-02 EP claimed
EP-0728464-A1 Composition for dyeing keratinous fibers comprising a diaminopyrazole derivative and a heterocyclic coupleur and dyeing process L'OREAL (FR) 1996-08-28 EP claimed
US-5534267-A Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis WELLA AKTIENGESELLSCHAFT (DE) 1996-07-09 US claimed
EP-0692245-A1 Oxidation hair dye containing 4,5-diaminopyrazole derivatives and m-phenylendiamine derivatives Wella Aktiengesellschaft (DE) 1996-01-17 EP claimed

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-11142498-B2 Keratin dyeing compounds, compositions containing them, and method and use thereof KRT18, MARK4, MKI67 NPC1 4813/4885LMNA 981/4885TSHR 3729/4885
US-20200247749-A1 KERATIN DYEING COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND METHOD AND USE THEREOF KRT18, PRKDC, MKI67 NPC1 4808/4885LMNA 698/4885TSHR 3726/4885

“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.