SCHEMBL2414166

SCHEMBL2414166

CC(=O)NCCN(C)c1nc(N2CCC(NC(C)=O)C2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
MCHR1 Q99705 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.40
SMPD3 Q9NY59 8/20 0.38
AKT1 P31749 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHIT1 Q13231 1/20 0.37
CHIA Q9BZP6 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
SYK P43405 1/20 0.36
MAP4K4 O95819 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
SCHEMBL2413309 0.90 MCHR1 (0.42) HSD11B1MCHR1SUV39H2SMPD3AKT1
SCHEMBL2413349 0.90 MCHR1 (0.42) HSD11B1MCHR1SUV39H2SMPD3AKT1
SCHEMBL2415467 0.88 HRH4 (0.39) HSD11B1MCHR1KCNH2CHIT1CHIA
SCHEMBL2414712 0.88 NAPEPLD (0.41) HSD11B1SMPD3KCNH2CHIT1CHIA
SCHEMBL2412753 0.85 SMPD3 (0.43) MCHR1SUV39H2SMPD3AKT1CKS1B
SCHEMBL2411924 0.83 MTNR1A (0.39) HSD11B1KCNH2CHIT1CHIAMTNR1A
SCHEMBL2413496 0.83 ALDH1A1 (0.41) HSD11B1SMPD3KCNH2CHIT1CHIA
SCHEMBL27541560 0.81 CACNA2D1 (0.42) HSD11B1MCHR1SUV39H2SMPD3AKT1
SCHEMBL2411118 0.81 MCHR1 (0.41) HSD11B1MCHR1SUV39H2SMPD3AKT1
SCHEMBL2411114 0.80 MCHR1 (0.41) MCHR1SUV39H2SMPD3AKT1CKS1B

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 HSD11B1 3872/4885MCHR1 4576/4885SUV39H2 1841/4885

“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.