SCHEMBL2414980

SCHEMBL2414980

CC(=O)NCCNc1nc(N2CCC(O)C2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
MELK Q14680 1/20 0.38
P2RX7 Q99572 1/20 0.37
IKBKB O14920 2/20 0.37
SMPD3 Q9NY59 2/20 0.36
HSD11B1 P28845 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
NAPEPLD Q6IQ20 6/20 0.35
KCNH2 Q12809 1/20 0.35
CHIT1 Q13231 1/20 0.35
CHIA Q9BZP6 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL2413748 0.89 HRH4 (0.43) HRH4IKBKBHSD11B1KCNH2CHIT1
SCHEMBL2411118 0.87 MCHR1 (0.41) HRH4SMPD3HSD11B1KCNH2
SCHEMBL2410338 0.86 HRH4 (0.39) HRH4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2411035 0.84 HRH4 (0.46) HRH4P2RX7SMPD3
SCHEMBL2417273 0.84 SMPD3 (0.40) HRH4MELKP2RX7IKBKBSMPD3
SCHEMBL2410925 0.84 ALDH1A1 (0.43) HRH4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2413985 0.83 SMPD3 (0.41) HRH4MELKP2RX7IKBKBSMPD3
SCHEMBL2510876 0.81 HRH4 (0.35) HRH4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2414712 0.80 NAPEPLD (0.41) MELKP2RX7IKBKBSMPD3HSD11B1
SCHEMBL2415416 0.79 HRH4 (0.37) HRH4ALDH1A1CYP1A2CYP3A4CYP2D6

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 HRH4 2255/4885MELK 4562/4885P2RX7 2882/4885

“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.