SCHEMBL2417618

SCHEMBL2417618

CN(C)c1nc(N2CCC(O)C2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.47
SMPD3 Q9NY59 7/20 0.44
MAP4K4 O95819 3/20 0.40
METAP2 P50579 2/20 0.37
PRKDC P78527 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
IKBKB O14920 2/20 0.36
MELK Q14680 1/20 0.36

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
SCHEMBL2419221 0.95 SMPD3 (0.46) PDE10ASMPD3MAP4K4METAP2
SCHEMBL2415295 0.85 SMPD3 (0.41) PDE10ASMPD3MAP4K4PRKDCIKBKB
SCHEMBL27516484 0.85 PDE10A (0.46) PDE10ASMPD3MAP4K4MELK
SCHEMBL2415213 0.85 SMPD3 (0.41) PDE10ASMPD3MAP4K4PRKDCIKBKB
SCHEMBL2411038 0.84 HRH4 (0.47) PDE10ASMPD3MAP4K4
SCHEMBL27570928 0.84 PDE10A (0.40) PDE10ASMPD3MAP4K4IKBKB
SCHEMBL2411355 0.82 CDK1 (0.39) PDE10ASMPD3MAP4K4CDK1CDK2
SCHEMBL2069373 0.81 SMPD3 (0.46) PDE10ASMPD3METAP2PRKDCCDK1
SCHEMBL2069375 0.81 SMPD3 (0.46) PDE10ASMPD3METAP2PRKDCCDK1
SCHEMBL2068649 0.81 SMPD3 (0.46) PDE10ASMPD3METAP2PRKDCCDK1

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 3263/4885SMPD3 3953/4885MAP4K4 545/4885

“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.