SCHEMBL2416696

SCHEMBL2416696

CC(=O)N(C)C1CCCN1c1ccc(N)c(N2CCCC2CO)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.39
PAK4 O96013 1/20 0.38
AOC3 Q16853 2/20 0.38
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CHUK O15111 2/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
ADORA3 P0DMS8 3/20 0.36
FPR2 P25090 1/20 0.35
SCN9A Q15858 1/20 0.35
JAK3 P52333 1/20 0.35
MAP4K4 O95819 1/20 0.34
PDK2 Q15119 2/20 0.34
PDK4 Q16654 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
SCHEMBL2412629 0.84 MAP4K4 (0.39) MAP4K4
SCHEMBL2411884 0.84 KMT2A (0.40) MAP4K4
SCHEMBL2412675 0.84 CHUK (0.47) PDE10APAK4CCNE2CDK4CCND1
SCHEMBL2411110 0.82 MAP4K4 (0.41) MAP4K4
SCHEMBL2414468 0.81 MAP4K4 (0.40) PDE10ACHUKJAK3MAP4K4
SCHEMBL2416055 0.81 MAP4K4 (0.33) MAP4K4
SCHEMBL2411637 0.80 CCNE2 (0.42) PDE10APAK4CCNE2CDK4CCND1
SCHEMBL2417349 0.80 MAP4K4 (0.38) PDE10AMAP4K4
SCHEMBL2415225 0.79 HSD11B1 (0.35) MAP4K4
SCHEMBL2412598 0.78 PDE10A (0.49) PDE10APAK4CCNE2CDK4CCND1

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 PDE10A 3263/4885PAK4 3945/4885AOC3 248/4885

“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.