SCHEMBL2414979

SCHEMBL2414979

CCNc1nc(N2CC(O)CC2C(=O)O)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
SCN9A Q15858 3/20 0.38
OGFRL1 Q5TC84 1/20 0.34
ITGB2 P05107 3/20 0.34
ICAM1 P05362 3/20 0.34
ITGAL P20701 3/20 0.34
P2RY12 Q9H244 1/20 0.34
ATM Q13315 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MAPK8 P45983 1/20 0.31
HSD11B1 P28845 1/20 0.31
SYK P43405 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
SCHEMBL2415787 0.88 GAA (0.38) GAASCN9AOGFRL1ITGB2ICAM1
SCHEMBL2412757 0.88 GAA (0.38) GAASCN9AOGFRL1ITGB2ICAM1
SCHEMBL2414702 0.87 GAA (0.41) GAASCN9AOGFRL1ITGB2ICAM1
SCHEMBL2415366 0.86 CYP1A2 (0.36) GAASCN9AP2RY12ATM
SCHEMBL2411501 0.81 CCNT1 (0.34) PDCD1CD274
SCHEMBL2415322 0.81 SCN9A (0.32) SCN9A
SCHEMBL2415629 0.81 HSD11B1 (0.46) HSD11B1SYK
SCHEMBL2414452 0.80 GAA (0.44) GAASCN9AOGFRL1ITGB2ICAM1
SCHEMBL2415486 0.80 SCN9A (0.40) GAASCN9AOGFRL1ITGB2ICAM1
SCHEMBL2415314 0.78 MAPK8 (0.34) GAAMAPK8HSD11B1

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 GAA 3941/4885SCN9A 362/4885OGFRL1 2645/4885

“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.