SCHEMBL3833763

SCHEMBL3833763

Cc1c(N)nc2c(N)cnn2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 2/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 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
SCHEMBL7465012 0.85 SMPD3 (0.38) SMPD3KDM4EALDH1A1HSD17B10MEN1
SCHEMBL7455608 0.85 KDM4E (0.49) SMPD3KDM4EALDH1A1PKMHSD17B10
Hydrochloric Acid SCHEMBL687553 0.83 KDM4E (0.48) SMPD3KDM4EALDH1A1PKMHSD17B10
SCHEMBL7464311 0.81 SMPD3 (0.36) SMPD3KDM4EALDH1A1PKMHSD17B10
SCHEMBL7465595 0.79 KDM5A (0.38) SMPD3MEN1NPC1KMT2ARAB9A
SCHEMBL126254 0.73 NPC1 (0.43) SMPD3KDM4EALDH1A1PKMHSD17B10
SCHEMBL7460208 0.70 SMPD3 (0.36) SMPD3KDM4EALDH1A1MEN1NPC1
SCHEMBL7460087 0.69 KDM4E (0.57) KDM4EALDH1A1PKMHSD17B10MEN1
SCHEMBL1818323 0.69 RAB9A (0.59) SMPD3KDM4EALDH1A1PKMHSD17B10
SCHEMBL7458579 0.68 KDM5A (0.43) SMPD3KDM4EALDH1A1PKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US claimed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP claimed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 WO claimed
EP-3474815-A1 PROCESS FOR TREATING KERATIN FIBERS USING AN ANHYDROUS COMPOSITION COMPRISING A COMPOUND OF AZOMETHINE TYPE COMPRISING TWO PYRAZOLOPYRIDINE UNITS AND AN AQUEOUS COMPOSITION L'OREAL (FR) 2019-05-01 EP disclosed
WO-2017220676-A1 PROCESS FOR TREATING KERATIN FIBERS USING AN ANHYDROUS COMPOSITION COMPRISING A COMPOUND OF AZOMETHINE TYPE COMPRISING TWO PYRAZOLOPYRIDINE UNITS AND AN AQUEOUS COMPOSITION L'OREAL (FR) 2017-12-28 WO disclosed
EP-1762223-B1 Composition for dyeing keratin fibres comprising at least one oxidation base and a particular polyoxyethylenated sorbitan ester ORÉAL L (FR) 2016-04-13 EP disclosed
EP-2065073-B1 Composition for the oxidation dyeing of keratin fibres comprising a cellulose with hydrophobic substituents, an oxidation dye and a long-chain fatty alcohol ORÉAL L (FR) 2015-08-19 EP disclosed
EP-2065074-B1 Composition for the oxidation dyeing of keratin fibres comprising a cellulose with hydrophobic substituent(s), an oxidation dye and a cationic polymer ORÉAL L (FR) 2014-06-18 EP disclosed
EP-1762222-B2 Process for colouring keratin fibres comprising a step of treating the scalp with a particular sorbitan ester OREAL (FR) 2013-08-21 EP disclosed
EP-1762222-B1 Process for colouring keratin fibres comprising a step of treating the scalp with a particular sorbitan ester OREAL (FR) 2009-10-07 EP disclosed
EP-2065073-A2 Composition for the oxidation dyeing of keratin fibres comprising a cellulose with hydrophobic substituents, an oxidation dye and a long-chain fatty alcohol L'Oréal (FR) 2009-06-03 EP disclosed
EP-2065074-A2 Composition for the oxidation dyeing of keratin fibres comprising a cellulose with hydrophobic substituent(s), an oxidation dye and a cationic polymer L'Oréal (FR) 2009-06-03 EP disclosed
EP-1879547-A1 DYEING COMPOSITION COMPRISING A DYE AND A PROPYLENE GLYCOL DERIVATIVE L'Oréal (FR) 2008-01-23 EP disclosed
EP-1762223-A1 Composition for dyeing keratin fibres comprising at least one oxidation base and a particular polyoxyethylenated sorbitan ester L'Oréal (FR) 2007-03-14 EP disclosed
EP-1762222-A1 Process for colouring keratin fibres comprising a step of treating the scalp with a particular sorbitan ester L'Oréal (FR) 2007-03-14 EP disclosed
WO-2006114529-A1 DYEING COMPOSITION COMPRISING A DYE AND A PROPYLENE GLYCOL DERIVATIVE L'OREAL (FR) 2006-11-02 WO disclosed
EP-1585488-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP disclosed
WO-2004058206-A1 NOVEL PHENYLENEDIAMINE DERIVATIVE COUPLING CONSTITUENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO disclosed
US-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 US disclosed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 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 (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-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 SMPD3 4708/4885KDM4E 1443/4885ALDH1A1 389/4885

“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.