SCHEMBL5145486

SCHEMBL5145486

CN(C)CCOc1nn2c3c(ccc2c1N)CCC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
KAT2B Q92831 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
TLR9 Q9NR96 1/20 0.32
HTR6 P50406 1/20 0.32
TGFBR1 P36897 1/20 0.31
ROCK2 O75116 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GUCY1B2 O75343 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL18975386 0.94 HRH3 (0.37) HRH3FGFR1SRCHTR6KDM4E
SCHEMBL5145072 0.87 ESR1 (0.35)
SCHEMBL5147431 0.84 HTR2C (0.31)
SCHEMBL3839719 0.83 CHRNB2 (0.30)
SCHEMBL3849791 0.82
SCHEMBL5146631 0.82 LTA4H (0.39) NOS3NOS1NOS2HRH3CYP1A2
SCHEMBL3839662 0.81 CHRNB2 (0.34) KDM4E
Hydrochloric Acid SCHEMBL3853257 0.81 CHRNB2 (0.32)
SCHEMBL5145227 0.81 HRH3 (0.39) NOS3NOS1NOS2HRH3KCNH2
SCHEMBL3835752 0.81 CHRNB2 (0.35) KDM4E

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 12 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
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 NOS3 1979/4885NOS1 2247/4885NOS2 2826/4885
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE KRT18, MARK1, MARK2 NOS3 2010/4885NOS1 2246/4885NOS2 2811/4885

“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.