SCHEMBL2411355

SCHEMBL2411355

CN(C)c1nc(N2CC(O)C(O)C2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.39
CDK2 P24941 5/20 0.39
PDE10A Q9Y233 2/20 0.35
HRH3 Q9Y5N1 3/20 0.34
MAP4K4 O95819 3/20 0.34
NSD2 O96028 1/20 0.33
SMPD3 Q9NY59 5/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL2413599 0.83 PDE10A (0.34) CDK1CDK2PDE10AHRH3NSD2
SCHEMBL27538367 0.83 CDK1 (0.37) CDK1CDK2PDE10AHRH3MAP4K4
SCHEMBL2415507 0.83 PDE10A (0.34) CDK1CDK2PDE10AHRH3NSD2
SCHEMBL2417618 0.82 PDE10A (0.47) CDK1CDK2PDE10AMAP4K4SMPD3
SCHEMBL27570932 0.82 HRH3 (0.33) CDK1CDK2PDE10AHRH3NSD2
SCHEMBL2419559 0.79 HSD11B1 (0.32) CDK1CDK2PDE10ANSD2SMPD3
SCHEMBL2416096 0.79 CNR2 (0.43) MAP4K4SMPD3HRH4
SCHEMBL2419221 0.78 SMPD3 (0.46) PDE10AMAP4K4SMPD3HRH4
SCHEMBL2413196 0.78 PDE10A (0.39) CDK1CDK2PDE10ASMPD3HRH4
SCHEMBL2411038 0.78 HRH4 (0.47) PDE10AHRH3MAP4K4SMPD3HRH4

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 CDK1 2156/4885CDK2 2209/4885PDE10A 3263/4885

“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.