SCHEMBL5145383

SCHEMBL5145383

CN1CCCN(c2nn3ccccc3c2N)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 6/20 0.46
HTR3B O95264 6/20 0.46
HTR3A P46098 6/20 0.46
HTR3D Q70Z44 6/20 0.46
HTR3C Q8WXA8 6/20 0.46
HRH4 Q9H3N8 3/20 0.42
NCF1 P14598 1/20 0.42
HTR1A P08908 3/20 0.40
HTR2C P28335 3/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 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
SCHEMBL5145241 0.94 HTR3B (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1841829 0.93 HTR3B (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1840872 0.87 MAPT (0.44)
Hydrochloric Acid SCHEMBL1841684 0.86 MAPT (0.42)
Hydrochloric Acid SCHEMBL1840946 0.86 MAPT (0.42)
SCHEMBL13016586 0.86 HPGD (0.44) HTR1AHTR2C
SCHEMBL5146799 0.81 SMO (0.42) NCF1
SCHEMBL3852468 0.79 CYP3A4 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5143155 0.78 CHRNB2 (0.40) HTR3AHRH4NCF1HTR1AHTR2C
SCHEMBL1231205 0.78 CYP3A4 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2012084472-A1 PROCESS FOR DYEING KERATIN FIBRES USING HYDROXYBENZALDEHYDE DERIVATIVES, OXIDIZING AGENTS AND ALKALINIZING AGENTS IN THE PRESENCE OF HEAT L'OREAL (FR) 2012-06-28 WO disclosed
WO-2012084472-A1 PROCESS FOR DYEING KERATIN FIBRES USING HYDROXYBENZALDEHYDE DERIVATIVES, OXIDIZING AGENTS AND ALKALINIZING AGENTS IN THE PRESENCE OF HEAT L'OREAL (FR) 2012-06-28 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-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (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 HTR3E 1298/4885HTR3B 834/4885HTR3A 551/4885
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE KRT18, MARK1, MARK2 HTR3E 1351/4885HTR3B 900/4885HTR3A 584/4885

“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.