SCHEMBL2414841

SCHEMBL2414841

CN(CCO)c1nc(N2CCC(N)C2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.43
HRH3 Q9Y5N1 4/20 0.41
PRKCQ Q04759 1/20 0.38
SUV39H2 Q9H5I1 4/20 0.38
MAP4K4 O95819 3/20 0.37

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
SCHEMBL2410427 0.89 HRH4 (0.43) HRH4HRH3PRKCQSUV39H2MAP4K4
SCHEMBL2415295 0.88 SMPD3 (0.41) HRH4MAP4K4
SCHEMBL2415467 0.84 HRH4 (0.39) HRH4HRH3PRKCQMAP4K4
SCHEMBL2411038 0.83 HRH4 (0.47) HRH4HRH3PRKCQMAP4K4
SCHEMBL2415507 0.83 PDE10A (0.34) HRH3
SCHEMBL2416651 0.82 SMPD3 (0.40) HRH4MAP4K4
SCHEMBL2413309 0.82 MCHR1 (0.42) HRH4SUV39H2MAP4K4
SCHEMBL2415213 0.79 SMPD3 (0.41) MAP4K4
SCHEMBL27538641 0.79 HRH4 (0.45) HRH4HRH3PRKCQMAP4K4
SCHEMBL2414398 0.75 CHUK (0.37)

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 HRH4 2255/4885HRH3 2370/4885PRKCQ 668/4885

“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.