SCHEMBL2415507

SCHEMBL2415507

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
CDK1 P06493 2/20 0.33
CDK2 P24941 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 2/20 0.32
NSD2 O96028 1/20 0.32
SLC9A5 Q14940 8/20 0.32
SMPD3 Q9NY59 3/20 0.31
HRH3 Q9Y5N1 2/20 0.31

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 0.90 PDE10A (0.34) PDE10ACDK1CDK2HSD11B1NSD2
SCHEMBL2419559 0.85 HSD11B1 (0.32) PDE10ACDK1CDK2HSD11B1NSD2
SCHEMBL2415295 0.85 SMPD3 (0.41) PDE10AHSD11B1SMPD3
SCHEMBL2416651 0.84 SMPD3 (0.40) PDE10AKDM4EHSD11B1SMPD3
SCHEMBL2411355 0.83 CDK1 (0.39) PDE10ACDK1CDK2NSD2SMPD3
SCHEMBL2414841 0.83 HRH4 (0.43) HRH3
SCHEMBL2411924 0.82 MTNR1A (0.39) PDE10AHSD11B1NSD2
SCHEMBL2413150 0.78 TACR1 (0.33) PDE10A
SCHEMBL27570932 0.78 HRH3 (0.33) PDE10ACDK1CDK2NSD2HRH3
SCHEMBL2415114 0.77 SLC9A5 (0.34) HSD11B1SLC9A5

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

“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.