SCHEMBL2412931

SCHEMBL2412931

Nc1ccc(N2CC(O)CC2NC=O)nc1N1CCC(O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.35
PDE10A Q9Y233 2/20 0.34
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
PRKDC P78527 1/20 0.33
SMPD3 Q9NY59 3/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
OGFRL1 Q5TC84 2/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
ABL1 P00519 1/20 0.30

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 0.89 SMPD3 (0.36) CHUKPDE10ALCKJAK3PRKDC
SCHEMBL2415310 0.89 ALDH1A1 (0.34) SMPD3
SCHEMBL2410736 0.85 SMPD3 (0.30) SMPD3
SCHEMBL2416318 0.84 CHUK (0.34) CHUKPDE10ALCKJAK3PRKDC
SCHEMBL2410080 0.82 SMPD3 (0.40) CHUKPDE10APRKDCSMPD3
SCHEMBL2415761 0.81 SCN9A (0.33)
SCHEMBL2415857 0.81 PDE10A (0.38) CHUKPDE10ACDK2
SCHEMBL2413689 0.81 SMN1; SMN2 (0.39) OPRM1OPRK1OGFRL1
SCHEMBL2416328 0.80 GAA (0.41) CHUKPDE10ALCKJAK3SMPD3
SCHEMBL2416597 0.79 PDE10A (0.38) CHUKPDE10APRKDCSMPD3CDK1

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 CHUK 4002/4885PDE10A 3263/4885LCK 2409/4885

“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.