SCHEMBL2415213

SCHEMBL2415213

CN(CCN)c1nc(N2CCC(O)C2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 7/20 0.41
PDE10A Q9Y233 3/20 0.41
NAPEPLD Q6IQ20 3/20 0.37
MAP4K4 O95819 2/20 0.36
HSD11B1 P28845 2/20 0.36
PRKDC P78527 1/20 0.35
IKBKB O14920 2/20 0.35

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
SCHEMBL2415295 0.91 SMPD3 (0.41) SMPD3PDE10ANAPEPLDMAP4K4HSD11B1
SCHEMBL2410427 0.87 HRH4 (0.43) SMPD3PDE10AMAP4K4
SCHEMBL2413599 0.85 PDE10A (0.34) SMPD3PDE10AHSD11B1
SCHEMBL2417618 0.85 PDE10A (0.47) SMPD3PDE10AMAP4K4PRKDCIKBKB
SCHEMBL2414712 0.84 NAPEPLD (0.41) SMPD3PDE10ANAPEPLDMAP4K4HSD11B1
SCHEMBL2413349 0.82 MCHR1 (0.42) SMPD3MAP4K4HSD11B1
SCHEMBL2416500 0.81 SMPD3 (0.40) SMPD3MAP4K4HSD11B1
SCHEMBL2419221 0.81 SMPD3 (0.46) SMPD3PDE10AMAP4K4HSD11B1
SCHEMBL27570928 0.80 PDE10A (0.40) SMPD3PDE10AMAP4K4IKBKB
SCHEMBL2414841 0.79 HRH4 (0.43) MAP4K4

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-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP claimed
CN-1250192-C 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2006-04-12 CN claimed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US claimed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US claimed
CN-1425365-A 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2003-06-25 CN claimed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 EP claimed
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP disclosed
CN-1250192-C 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2006-04-12 CN disclosed
US-6837908-B2 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2005-01-04 US disclosed
US-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres L'OREAL S.A. (FR) 2003-09-04 US disclosed
CN-1425365-A 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2003-06-25 CN disclosed
EP-1312606-A1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres L'OREAL (FR) 2003-05-21 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 (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-20030163876-A1 Novel 2,5-diaminopyridine oxidation bases for the dyeing of keratin fibres KRT18, DPYD, DSP SMPD3 3953/4885PDE10A 3263/4885NAPEPLD 2460/4885

“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.