SCHEMBL3518957

SCHEMBL3518957

C[N+]1(CCNc2nn3ccccc3c2N)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A2 O15244 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
VCP P55072 1/20 0.32
EGFR P00533 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3841138 0.99 VCP (0.32) CYP2D6ALDH1A1HPGDKMT2ASLC22A2
Hydrochloric Acid SCHEMBL1152587 0.98 CYP2D6 (0.32) CYP2D6ALDH1A1HPGDKMT2ASLC22A2
Hydrochloric Acid SCHEMBL3860287 0.98 CYP2D6 (0.32) CYP2D6ALDH1A1HPGDKMT2ASLC22A2
Hydrochloric Acid SCHEMBL3166759 0.98 VCP (0.32) CYP2D6ALDH1A1HPGDKMT2ASLC22A2
Hydrochloric Acid SCHEMBL3851767 0.96 VCP (0.31) CYP2D6ALDH1A1HPGDKMT2ASLC22A2
SCHEMBL3840367 0.93 CHRM2 (0.36) CYP2D6ALDH1A1HPGDKMT2ASLC22A2
SCHEMBL3841457 0.92 CHRM2 (0.35) ALDH1A1HPGDKMT2ASLC22A2CHRM2
SCHEMBL3835633 0.91 CHRM2 (0.34) ALDH1A1HPGDKMT2ASLC22A2CHRM2
SCHEMBL13646861 0.91 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3835579 0.88 CNR1 (0.33) KMT2AEGFRCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008149005-A2 DYE COMPOSITION COMPRISING AN AMINOPYRAZOLOPYRIDINE OXIDATION BASE AND A SOURCE OF CARBONATE IONS L'OREAL (FR) 2008-12-11 WO claimed
EP-2246038-B1 Azomethinic cationic pyrazolidine derivatives for dyeing keratin fiber ORÉAL L (FR) 2014-10-22 EP disclosed
US-7887601-B2 2-[(3-{[2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino}pyrazolo[1,5-a]pyridin-2-yl)amino]-N,N,N-trimethylethanaminium chloride; leuco dyes; along with an oxididizer; hair dyes; intensity L'OREAL S.A. (FR) 2011-02-15 US disclosed
US-20100275390-A1 COMPOUNDS OF AZOMETHINE TYPE COMPRISING A CATIONIC PYRAZOLOPYRIDINE UNIT, FOR DYEING KERATIN FIBRES L'OREAL S.A. (FR) 2010-11-04 US disclosed
EP-2246038-A1 Azomethinic cationic pyrazolidine derivatives for dyeing keratin fiber L'Oréal (FR) 2010-11-03 EP disclosed
EP-1792903-B1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative OREAL (FR) 2009-10-14 EP disclosed
EP-1792903-B1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative OREAL (FR) 2009-10-14 EP disclosed
US-7578855-B2 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'ORéAL S.A. (FR) 2009-08-25 US disclosed
WO-2008149005-A2 DYE COMPOSITION COMPRISING AN AMINOPYRAZOLOPYRIDINE OXIDATION BASE AND A SOURCE OF CARBONATE IONS L'OREAL (FR) 2008-12-11 WO disclosed
WO-2008149005-A2 DYE COMPOSITION COMPRISING AN AMINOPYRAZOLOPYRIDINE OXIDATION BASE AND A SOURCE OF CARBONATE IONS L'OREAL (FR) 2008-12-11 WO disclosed
WO-2008138845-A2 COLOURING COMPOSITION COMPRISING AN AMINOPYRAZOLOPYRIDINE OXIDATION BASE AND EXHIBITING AN ACIDIC PH L'OREAL (FR) 2008-11-20 WO disclosed
US-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'OREAL S.A. (FR) 2007-06-21 US disclosed
US-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof L'OREAL S.A. (FR) 2007-06-21 US 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
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-20070136959-A1 Composition for dyeing keratin fibers comprising at least one cationic 3-amino-pyrazolopyridine derivative, and methods of use thereof KRT18, COX5A, PNPO CYP2D6 1275/4885ALDH1A1 264/4885HPGD 368/4885
US-20100275390-A1 COMPOUNDS OF AZOMETHINE TYPE COMPRISING A CATIONIC PYRAZOLOPYRIDINE UNIT, FOR DYEING KERATIN FIBRES KRT18, TMPO, S100A4 CYP2D6 714/4885ALDH1A1 1818/4885HPGD 1046/4885

“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.