SCHEMBL2413074

SCHEMBL2413074

CC(=O)NCCNc1nc(N2CCCC2N(C)C(C)=O)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.36
CYP3A4 P08684 9/20 0.36
ALDH1A1 P00352 8/20 0.36
CYP2D6 P10635 8/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 3/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
HBB P68871 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
CLK4 Q9HAZ1 4/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 1/20 0.33
MAP4K4 O95819 1/20 0.33
ILK Q13418 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL2414355 0.90 MAP4K4 (0.34) MAP4K4HSD11B1
SCHEMBL2416932 0.90 MAP4K4 (0.34) ALDH1A1HRH4MAP4K4HSD11B1
SCHEMBL2416514 0.88 MAP4K4 (0.35) MAP4K4HSD11B1MAPK8
SCHEMBL2420377 0.84 MAP4K4 (0.36) MAP4K4
SCHEMBL2413123 0.84 ADORA2A (0.44) HRH4
SCHEMBL2412722 0.84 HSD11B1 (0.42) CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10
SCHEMBL2414983 0.83 MTNR1A (0.35) ALDH1A1MAP4K4KCNH2CHIT1CHIA
SCHEMBL2415180 0.81 HRH4 (0.34) CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10
SCHEMBL2411110 0.79 MAP4K4 (0.41) MAP4K4
SCHEMBL2410925 0.78 ALDH1A1 (0.43) CYP1A2CYP3A4ALDH1A1CYP2D6HSD17B10

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 CYP1A2 1434/4885CYP3A4 2704/4885ALDH1A1 197/4885

“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.