SCHEMBL2416112

SCHEMBL2416112

CC(=O)NCCNc1nc(N2CC(O)CC2CO)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.34
CYP3A4 P08684 9/20 0.34
CYP2D6 P10635 8/20 0.34
ALDH1A1 P00352 7/20 0.34
CLK4 Q9HAZ1 5/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 4/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL2412029 0.86 KDM4E (0.33) CCNT1CCNA2CDK2CSNK1A1CDK9
SCHEMBL2415366 0.86 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6ALDH1A1CLK4
SCHEMBL2412012 0.85 CCNT1 (0.32) CCNT1CCNA2CDK2CSNK1A1CDK9
SCHEMBL2414382 0.84 CYP1A2 (0.33) CYP1A2CYP3A4CYP2D6ALDH1A1CLK4
SCHEMBL2411501 0.84 CCNT1 (0.34) CCNT1CCNA2CDK2CSNK1A1CDK9
SCHEMBL2413123 0.82 ADORA2A (0.44) CDK2CDK9CDK5HRH4
SCHEMBL2413974 0.81 CCNT1 (0.33) CCNT1CCNA2CDK2CSNK1A1CDK9
SCHEMBL2415988 0.81 MTNR1A (0.35)
SCHEMBL2410338 0.79 HRH4 (0.39) CYP1A2CYP3A4CYP2D6ALDH1A1CLK4
SCHEMBL2416070 0.78 KDM4E (0.32) HRH4KDM4E

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 CYP1A2 1434/4885CYP3A4 2704/4885CYP2D6 1257/4885

“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.