SCHEMBL2415129

SCHEMBL2415129

Nc1ccc(N2CCC(N)C2)nc1N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.53
MAP4K4 O95819 3/20 0.50
PTPN11 Q06124 1/20 0.48
HRH3 Q9Y5N1 3/20 0.48
PRKCQ Q04759 2/20 0.47
HTR3E A5X5Y0 1/20 0.44
MEN1 O00255 1/20 0.44
HTR3B O95264 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR3A P46098 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL2411684 0.82 SMPD3 (0.48) MAP4K4PTPN11PDE10A
SCHEMBL2415103 0.81 HRH4 (0.58) HRH4MAP4K4HRH3PRKCQHTR3E
Hydrochloric Acid SCHEMBL6336102 0.81 SMPD3 (0.47) MAP4K4PTPN11PDE10A
SCHEMBL2411038 0.80 HRH4 (0.47) HRH4MAP4K4PTPN11HRH3PRKCQ
SCHEMBL2414036 0.80 HRH4 (0.47) HRH4MAP4K4HRH3PRKCQPDE10A
SCHEMBL2413119 0.80 HTR3A (0.48) HRH4MAP4K4PTPN11HRH3PRKCQ
SCHEMBL2415301 0.78 MAP4K4 (0.54) MAP4K4PTPN11PRKCQPDE10A
SCHEMBL2413669 0.78 HRH4 (0.45) HRH4MAP4K4HRH3PRKCQPDE10A
SCHEMBL113232 0.78 SMPD3 (0.55) MAP4K4PTPN11HRH3HTR3EMEN1
SCHEMBL2416467 0.77 HRH4 (0.49) HRH4MAP4K4PTPN11HRH3PRKCQ

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 HRH4 2255/4885MAP4K4 545/4885PTPN11 4301/4885

“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.