SCHEMBL2411035

SCHEMBL2411035

Nc1ccc(N2CCC(O)C2)nc1NCCO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.46
SMPD3 Q9NY59 5/20 0.40
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PDE10A Q9Y233 1/20 0.35
ALOX15 P16050 1/20 0.35
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 0.35
MAPK1 P28482 1/20 0.34
PRKDC P78527 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CHUK O15111 1/20 0.34

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
SCHEMBL2417273 0.90 SMPD3 (0.40) HRH4SMPD3P2RX7PDE10APRKDC
SCHEMBL2409814 0.88 HRH4 (0.46) HRH4KDM4EALOX15
SCHEMBL2413985 0.86 SMPD3 (0.41) HRH4SMPD3P2RX7PDE10ACDK1
SCHEMBL2411482 0.84 HRH4 (0.39) HRH4KDM4EPDE10AALOX15MAPK1
SCHEMBL2414980 0.84 HRH4 (0.40) HRH4SMPD3P2RX7
SCHEMBL2412342 0.82 SMPD3 (0.43) HRH4SMPD3P2RX7PDE10APRKDC
SCHEMBL2414111 0.81 SLC29A1 (0.46) HRH4KDM4EMAPK1
SCHEMBL2417566 0.81 HRH4 (0.50) HRH4SMPD3P2RX7
SCHEMBL2421754 0.79 MAP4K4 (0.55) HRH4P2RX7PDE10A
SCHEMBL2411684 0.77 SMPD3 (0.48) SMPD3PDE10APRKDCCDK1CDK2

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 12 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
CN-1250192-C 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2006-04-12 CN 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
CN-1425365-A 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2003-06-25 CN 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
CN-1250192-C 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2006-04-12 CN 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
CN-1425365-A 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2003-06-25 CN 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 2255/4885SMPD3 3953/4885P2RX7 2882/4885

“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.