SCHEMBL2413665

SCHEMBL2413665

CN(C)c1nc(N2CCCC2CO)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ADK P55263 1/20 0.38
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK1 P06493 3/20 0.37
CCNB1 P14635 2/20 0.37
PDE10A Q9Y233 1/20 0.37
PDK2 Q15119 2/20 0.36
PAK4 O96013 1/20 0.36
PDK4 Q16654 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL2414398 0.88 CHUK (0.37) CHUKADORA2AADORA1MKNK1MKNK2
SCHEMBL2415444 0.87 CHUK (0.36) CHUKADORA2AADORA1MKNK1MKNK2
SCHEMBL27515787 0.87 FPR2 (0.37) CHUKADORA2AADORA1MKNK1MKNK2
SCHEMBL27515451 0.86 PDE10A (0.38) CHUKADORA2AADORA1MKNK1MKNK2
SCHEMBL2415235 0.82 ADK (0.43) CHUKADORA2AADORA1MKNK1MKNK2
SCHEMBL2412675 0.81 CHUK (0.47) CHUKADORA2AADORA1ADKCCNE1
SCHEMBL2414842 0.81 ADORA2A (0.42) CHUKADORA2AADORA1CDK2FPR2
SCHEMBL2415080 0.80 ADORA2A (0.41) CHUKADORA2AADORA1MKNK1MKNK2
SCHEMBL2413848 0.80 CHUK (0.42) CHUKADORA2AADORA1MKNK1MKNK2
SCHEMBL2414717 0.79 HSD11B1 (0.41) SMPD3ALOX5AP

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 4002/4885ADORA2A 4333/4885ADORA1 4171/4885

“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.