SCHEMBL2411046

SCHEMBL2411046

Nc1ccc(N2CCC(O)C2C(=O)O)nc1N1CCC(O)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.36
CHUK O15111 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
SMPD3 Q9NY59 3/20 0.34
P2RX7 Q99572 1/20 0.33
IKBKB O14920 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OGFRL1 Q5TC84 2/20 0.32
PRKDC P78527 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
NEK2 P51955 1/20 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
SCHEMBL2420462 0.87 IP6K1 (0.35) SMPD3NEK2
SCHEMBL2416328 0.83 GAA (0.41) PDE10ACHUKLCKJAK3SMPD3
SCHEMBL2416631 0.83 KMT2A (0.39) PDE10ACHUKSMPD3OPRM1OPRD1
SCHEMBL2419054 0.81 NOTUM (0.45) SMPD3NEK2
SCHEMBL2413653 0.81 SMPD3 (0.47) PDE10ACHUKSMPD3P2RX7OPRM1
SCHEMBL2416318 0.80 CHUK (0.34) PDE10ACHUKLCKJAK3SMPD3
SCHEMBL2416674 0.80 NEK2 (0.32) NEK2
SCHEMBL2414791 0.80 PDE10A (0.46) PDE10ACHUKLCKJAK3SMPD3
SCHEMBL2413440 0.79 KMT2A (0.42) OPRM1OPRK1OGFRL1
SCHEMBL2416270 0.77 SMPD3 (0.47) PDE10ACHUKSMPD3CDK2

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 PDE10A 3263/4885CHUK 4002/4885LCK 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.