SCHEMBL2414355

SCHEMBL2414355

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.34
HSD11B1 P28845 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
NTRK1 P04629 4/20 0.31
DCAF15 Q66K64 2/20 0.31
JAK2 O60674 2/20 0.31
CXCR4 P61073 1/20 0.31
SMPD3 Q9NY59 1/20 0.30
PRKCI P41743 1/20 0.30

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
SCHEMBL2416932 0.92 MAP4K4 (0.34) MAP4K4HSD11B1OPRM1OPRK1OGFRL1
SCHEMBL2413074 0.90 CYP1A2 (0.36) MAP4K4HSD11B1
SCHEMBL2416514 0.89 MAP4K4 (0.35) MAP4K4HSD11B1SMPD3
SCHEMBL2420377 0.86 MAP4K4 (0.36) MAP4K4NTRK1JAK2SMPD3
SCHEMBL2411110 0.81 MAP4K4 (0.41) MAP4K4OPRD1NTRK1JAK2SMPD3
SCHEMBL2414057 0.81 HSD11B1 (0.43) HSD11B1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL2453879 0.80 SYK (0.33) HSD11B1
SCHEMBL2414773 0.80 HSD11B1 (0.35) MAP4K4HSD11B1NTRK1JAK2SMPD3
SCHEMBL2417349 0.79 MAP4K4 (0.38) MAP4K4HSD11B1OPRD1NTRK1JAK2
SCHEMBL2414294 0.78 CHUK (0.40)

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 MAP4K4 545/4885HSD11B1 3872/4885OPRM1 4660/4885

“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.