SCHEMBL2410080

SCHEMBL2410080

Nc1ccc(N2CCC(O)C2)nc1N1CCCC1NC=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 5/20 0.40
PDE10A Q9Y233 2/20 0.36
PRKDC P78527 1/20 0.34
P2RX7 Q99572 1/20 0.33
CHUK O15111 1/20 0.32
KIF18A Q8NI77 3/20 0.32
IKBKB O14920 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
NAPEPLD Q6IQ20 2/20 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
SCHEMBL2415245 0.93 SMPD3 (0.36) SMPD3PDE10APRKDCCHUKIKBKB
SCHEMBL2410491 0.89 SMPD3 (0.33) SMPD3PDE10A
SCHEMBL2415328 0.88 HRH4 (0.40) PDE10A
SCHEMBL2411529 0.88 SMPD3 (0.33) SMPD3
SCHEMBL2416331 0.87 MAP4K4 (0.43) PDE10A
SCHEMBL2411521 0.87 MAPT (0.39) SMPD3
SCHEMBL2410736 0.86 SMPD3 (0.30) SMPD3
SCHEMBL2416308 0.84 AKT1 (0.39) SMPD3
SCHEMBL2414924 0.82 SMPD3 (0.33) SMPD3
SCHEMBL2412474 0.82 ALDH1A1 (0.36) SMPD3

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 8 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
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
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
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
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 3263/4885PRKDC 156/4885

“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.