SCHEMBL2414864

SCHEMBL2414864

Nc1ccc(N2CCCC2NC=O)nc1N1CCCC1CO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.39
PDE10A Q9Y233 3/20 0.39
ADORA2A P29274 8/20 0.38
ADORA1 P30542 8/20 0.38
ADORA3 P0DMS8 7/20 0.38
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PAK4 O96013 1/20 0.37
CUL4A Q13619 1/20 0.35
PDK2 Q15119 2/20 0.35
PDK4 Q16654 1/20 0.35
ADORA2B P29275 1/20 0.34

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
SCHEMBL2415961 0.96 CHUK (0.39) CHUKPDE10AADORA2AADORA1ADORA3
SCHEMBL2415857 0.89 PDE10A (0.38) CHUKPDE10AADORA2AADORA1ADORA3
SCHEMBL2411529 0.89 SMPD3 (0.33)
SCHEMBL2413886 0.86 PDE10A (0.34) CHUKPDE10A
SCHEMBL2415739 0.85 ADORA2A (0.38) CHUKPDE10AADORA2AADORA1ADORA3
SCHEMBL2412675 0.85 CHUK (0.47) CHUKPDE10AADORA2AADORA1ADORA3
SCHEMBL2412474 0.83 ALDH1A1 (0.36)
SCHEMBL2415012 0.83 SMN1; SMN2 (0.42)
SCHEMBL2416331 0.81 MAP4K4 (0.43) PDE10A
SCHEMBL2411521 0.81 MAPT (0.39)

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 3263/4885ADORA2A 4333/4885

“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.