SCHEMBL1801451

SCHEMBL1801451

Nc1c(-c2ccccc2)nn(CCO)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
MAPK1 P28482 1/20 0.40
CSF1R P07333 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKCQ Q04759 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL6004377 0.86 KDM4E (0.43) ALDH1A1KDM4EHPGDMAPTMAPK1
Hydrochloric Acid SCHEMBL6755862 0.85 KDM4E (0.42) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL1800673 0.84 SMN1; SMN2 (0.41) ESR1ALDH1A1KDM4EMAPTMAPK1
SCHEMBL1803361 0.82 RIPK2 (0.44) ALDH1A1KDRSMN1; SMN2LMNA
SCHEMBL5201276 0.80 ESR1 (0.39) ESR1ALDH1A1KDM4ENR1I2AHR
SCHEMBL1799813 0.80 KMT2A (0.58) ALDH1A1KDM4EHPGDMAPTKDR
SCHEMBL29041058 0.79 MEN1 (0.50) ALDH1A1KDM4EHPGDMAPTMAPK1
SCHEMBL4383968 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTNR1I2
SCHEMBL15656520 0.78 ALDH1A1 (0.44) ESR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL1720030 0.74 POLB (0.66) ALDH1A1KDM4EHPGDMAPTMAPK1

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 92 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-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 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-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP claimed
EP-1011619-B1 DYEING COMPOSITION FOR KERATIN FIBRES OREAL (FR) 2005-09-14 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2003-01-30 US 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
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
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2002-05-02 US claimed
US-6099592-A SPECIFIED 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES SUCH AS 1-BENZYL-4,5-DIAMINO-3-METHYLPYRAZOLE AS OXIDATION DYE PRECURSORS; USE TO OBTAIN DYE COMPOSITIONS LEADING TO STRONG COLORATIONS, IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2000-08-08 US 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
EP-0740931-B1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation OREAL (FR) 1997-08-20 EP claimed
EP-0740931-A1 Compositions for dyeing keratinic fibers containing diaminopyrazoles, process for dyeing, diaminopyrazoles and process for their preparation L'OREAL (FR) 1996-11-06 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 (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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 ESR1 2167/4885ALDH1A1 927/4885KDM4E 1956/4885
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 ESR1 4584/4885ALDH1A1 653/4885KDM4E 723/4885
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 ESR1 4584/4885ALDH1A1 653/4885KDM4E 723/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE ESR1 3917/4885ALDH1A1 357/4885KDM4E 441/4885

“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.