SCHEMBL2414036

SCHEMBL2414036

COc1nc(N2CCC(N)C2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.47
HRH3 Q9Y5N1 3/20 0.46
SUV39H2 Q9H5I1 4/20 0.43
MAP4K4 O95819 2/20 0.42
PRKCQ Q04759 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL2414993 0.85 HRH4 (0.49) HRH4HRH3MAP4K4PRKCQPDE10A
SCHEMBL2411465 0.84 PRKAB2 (0.48) PDE10A
Hydrochloric Acid SCHEMBL2417156 0.83 PRKAB2 (0.47) PDE10A
SCHEMBL21500109 0.81 MAP4K4 (0.55) HRH3MAP4K4
SCHEMBL2415129 0.80 HRH4 (0.53) HRH4HRH3MAP4K4PRKCQPDE10A
SCHEMBL2410313 0.80 PRKCQ (0.44) HRH4HRH3MAP4K4PRKCQPDE10A
SCHEMBL22475332 0.79 MAP4K4 (0.45) HRH4HRH3MAP4K4PDE10A
SCHEMBL2412222 0.79 CNR2 (0.43) HRH4MAP4K4
SCHEMBL29209079 0.78 MAP4K4 (0.44) HRH3MAP4K4PDE10A
SCHEMBL2413399 0.78 PDE10A (0.38) HRH4PDE10A

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 2255/4885HRH3 2370/4885SUV39H2 1841/4885

“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.