SCHEMBL9974731

SCHEMBL9974731

Nc1c(NCCCn2ccnc2)nn2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 3/20 0.60
ALDH1A1 P00352 5/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
QPCT Q16769 5/20 0.47
ILK Q13418 1/20 0.47
HSD17B10 Q99714 4/20 0.47
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
AURKA O14965 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHB2 P29323 1/20 0.46

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
Hydrochloric Acid SCHEMBL1844874 0.99 SOD1 (0.58) SOD1ALDH1A1GSK3AGSK3BQPCT
SCHEMBL15291900 0.93 SOD1 (0.49) SOD1ALDH1A1GSK3AGSK3BQPCT
SCHEMBL12659928 0.87 SOD1 (0.41) SOD1ALDH1A1GSK3AGSK3BQPCT
SCHEMBL13016450 0.85 SOD1 (0.60) SOD1ALDH1A1GSK3AGSK3BQPCT
SCHEMBL14487715 0.83 SOD1 (0.57) SOD1ALDH1A1GSK3AGSK3BQPCT
SCHEMBL12658831 0.83 SOD1 (0.57) SOD1ALDH1A1GSK3AGSK3BQPCT
SCHEMBL1841246 0.81 ALDH1A1 (0.60) SOD1ALDH1A1GSK3AGSK3BQPCT
Hydrochloric Acid SCHEMBL3854115 0.78 MAPK1 (0.36) SOD1ALDH1A1GSK3AGSK3BILK
SCHEMBL4412616 0.78 KMT2A (0.48) ALDH1A1QPCTTSHRMAPK1LMNA
SCHEMBL3842610 0.78 MEN1 (0.37) SOD1ALDH1A1GSK3AGSK3BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP disclosed
WO-2017108847-A1 COMPOSITION FOR DYEING THE HAIR, COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 2-AMINO-5-ETHYLPHENOL COUPLER L'OREAL (FR) 2017-06-29 WO disclosed
EP-2155153-B1 DYEING COMPOSITION COMPRISING A SPECIFIC AMINOPYRAZOLOPYRIDINE OXIDATION BASE, A COUPLER AND A SPECIFIC SURFACTANT L'ORÉAL (FR) 2017-03-01 EP disclosed
EP-2651935-B1 DYEING COMPOSITION COMPRISING A FATTY SUBSTANCE, A PYRAZOLOPYRIDINE OXIDATION BASE AND A COUPLER ORÉAL L (FR) 2016-11-23 EP disclosed
WO-2016097229-A1 DYE COMPOSITION COMPRISING A PARA-PHENYLENEDIAMINE OXIDATION BASE AND A HETEROCYCLIC OXIDATION BASE L'OREAL (FR) 2016-06-23 WO disclosed
EP-1992331-B1 Dyeing composition comprising an aminopyrazolopyridine oxidation base, a coupler and a specific polyol OREAL (FR) 2013-10-02 EP disclosed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
EP-1792606-B1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine OREAL (FR) 2011-05-18 EP disclosed
US-7857864-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivative L'OREAL S.A. (FR) 2010-12-28 US disclosed
US-7857864-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivative L'OREAL S.A. (FR) 2010-12-28 US disclosed
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE L'OREAL S.A. (FR) 2010-05-13 US disclosed
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE L'OREAL S.A. (FR) 2010-05-13 US disclosed
US-7635394-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2009-12-22 US disclosed
US-7635394-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2009-12-22 US disclosed
US-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2007-06-28 US disclosed
US-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives L'OREAL S.A. (FR) 2007-06-28 US disclosed
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 EP disclosed
EP-1792903-A1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative L'OREAL (FR) 2007-06-06 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-20070143935-A1 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivatives KRT18, MARK1, MARK2 SOD1 3387/4885ALDH1A1 683/4885GSK3A 3514/4885
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE KRT18, MARK1, MARK2 SOD1 3425/4885ALDH1A1 711/4885GSK3A 3591/4885

“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.