SCHEMBL1799370

SCHEMBL1799370

Cn1ncc(N)c1NCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.37
HRH4 Q9H3N8 2/20 0.35
SHMT2 P34897 1/20 0.34
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.32
GLA P06280 1/20 0.32
RAD52 P43351 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5707080 0.81 CYP1A2 (0.35) CDK1HRH4MAPK1CYP2D6CYP2C19
SCHEMBL5405380 0.79 HRH4 (0.34) CDK1HRH4GAAMEN1KMT2A
SCHEMBL5418378 0.77 ALDH1A1 (0.35) CDK1HRH4KDM4EHSD17B10ALDH1A1
SCHEMBL14445360 0.77 CNR1 (0.34) CDK1HRH4SHMT2MAPK1KDM4E
SCHEMBL14445306 0.75 KDM4E (0.37) CDK1KMT2AMAPK1KDM4EHSD17B10
SCHEMBL14445364 0.75 MAPK1 (0.33) CDK1GAAKMT2AMAPK1ATM
SCHEMBL5418383 0.74 CDK1 (0.30) CDK1
SCHEMBL5418385 0.74 CDK1 (0.30) CDK1
SCHEMBL5399863 0.74 LMNA (0.32) CDK1KDM4EALDH1A1LMNA
SCHEMBL14445231 0.73 CCNA2 (0.30) MEN1KMT2AAURKACCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011619-B2 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2012-07-04 EP claimed
EP-1345580-B9 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2009-11-25 EP claimed
EP-1345580-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2006-06-07 EP claimed
EP-1011619-B1 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2005-09-14 EP claimed
EP-1345579-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND OREAL (FR) 2005-06-29 EP claimed
US-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method L'OREAL (FR) 2004-12-02 US claimed
US-6780203-B1 DIAMINOPYRAZOLE DERIVATIVE OXIDATION HAIR DYE AND 3-AMINO-2-CHLORO-6- METHYLPHENOL OR SALT COUPLER L'ORéAL S.A. (FR) 2004-08-24 US claimed
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound L'OREAL (FR) 2004-05-13 US claimed
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound L'OREAL (FR) 2004-04-22 US claimed
EP-1404288-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2004-04-07 EP claimed
EP-1345579-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND L'OREAL (FR) 2003-09-24 EP claimed
EP-1345580-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND L'OREAL (FR) 2003-09-24 EP claimed
WO-2002051373-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
WO-2002051371-A1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING AN AMINO PYRAZOLE AND A MINERAL COMPOUND L'OREAL (FR) 2002-07-04 WO claimed
WO-2002051372-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2002-07-04 WO 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040237219-A1 Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method KRT18, TUBB3, PPOX CDK1 1081/4885HRH4 1038/4885SHMT2 370/4885
US-20040074014-A1 Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound KRT18, TUBB3, COX5A CDK1 1168/4885HRH4 773/4885SHMT2 348/4885
US-20040088800-A1 Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound KRT18, TUBB3, COX5A CDK1 824/4885HRH4 797/4885SHMT2 353/4885

“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.