SCHEMBL6569097

SCHEMBL6569097

CC(O)c1ccn2ncc(N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 10/20 0.36
UGT2B7 P16662 1/20 0.33
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR1D P28221 1/20 0.31
HTR7 P34969 1/20 0.31
HTR4 Q13639 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
SCHEMBL31003285 0.84 CYP11B1 (0.36) UGT2B7HTR2AHTR2C
SCHEMBL31204862 0.80 ACSS2 (0.34) SMPD3
SCHEMBL20731021 0.74 SMPD3 (0.45) SMPD3HTR2AHTR2C
SCHEMBL33995 0.74 SMPD3 (0.38) SMPD3HTR1AADRA2AADRA2BADRA2C
SCHEMBL33849 0.73 SMPD3 (0.40) SMPD3
SCHEMBL1230140 0.72 ADRB2 (0.31)
SCHEMBL26596835 0.71 FYN (0.32) SMPD3
SCHEMBL23385229 0.70 SMPD3 (0.38) SMPD3
SCHEMBL28626251 0.70 EPHB3 (0.43) SMPD3
SCHEMBL20731024 0.70 EPHB3 (0.45) SMPD3HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372586-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE AND ONE AMINOPHENOL COUPLING AGENT L'OREAL (FR) 2004-01-02 EP claimed
WO-2002076419-A1 OXIDATION DYEING COMPOSITION CONTAINING 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE AND ONE AMINOPHENOL COUPLING AGENT L'OREAL (FR) 2002-10-03 WO claimed
US-11504318-B2 Symmetric azomethine direct dyes, process for their preparation, cosmetic composition comprising at least one such dye and use thereof L'OREAL (FR) 2022-11-22 US disclosed
CN-111094232-A P-phenylenediamine color bases F having an aliphatic chain and trialkylammonium groups and use thereof for oxidation dyeing of keratin fibers 莱雅公司 2020-05-01 CN disclosed
CN-111032008-A Method for dyeing keratin materials using at least one blue, violet or green dye and at least one disulfide, thiol or protected thiol fluorescent dye 莱雅公司 2020-04-17 CN 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 (1 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-11504318-B2 Symmetric azomethine direct dyes, process for their preparation, cosmetic composition comprising at least one such dye and use thereof KRT18, IK, H1-5 SMPD3 3585/4885UGT2B7 3419/4885JAK2 4806/4885

“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.