SCHEMBL5145218

SCHEMBL5145218

CCc1ccc(C)n2nc(OCCN(C)C)c(N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
KAT2B Q92831 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR7 P34969 1/20 0.33
ROCK2 O75116 1/20 0.32
HTT P42858 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN3A Q9NY46 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
SCHEMBL5146698 0.84 MBOAT4 (0.32) KDM4EALDH1A1HTTLMNACYP1A2
SCHEMBL1842471 0.80 HTR2A (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL1231715 0.79 HTR2A (0.32)
Hydrochloric Acid SCHEMBL1842432 0.79 HTR2A (0.32)
SCHEMBL5145534 0.77 HRH3 (0.39) NOS3NOS1HTR7
SCHEMBL5145059 0.75 HTR6 (0.40) HTR6KAT2BL3MBTL1KDM4EALDH1A1
SCHEMBL5145475 0.70 KAT2B (0.39) HTR6KAT2BKDM4EHTR7ROCK2
SCHEMBL13016503 0.69 APOBEC3A (0.33)
SCHEMBL10118586 0.69 HTR6 (0.33) HTR6KDM4EALDH1A1CYP1A2
SCHEMBL1842587 0.66 ALDH1A1 (0.33) KDM4EALDH1A1HTTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 EP claimed
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 HTR6 1254/4885KAT2B 1299/4885L3MBTL1 4863/4885
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE KRT18, MARK1, MARK2 HTR6 1318/4885KAT2B 1262/4885L3MBTL1 4859/4885

“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.