SCHEMBL2411684

SCHEMBL2411684

Nc1ccc(N2CCC(O)C2)nc1N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 4/20 0.48
PDE10A Q9Y233 2/20 0.41
PRKDC P78527 1/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
PTPN11 Q06124 1/20 0.40
MAP4K4 O95819 4/20 0.39
SMARCA2 P51531 2/20 0.38
SMARCA4 P51532 2/20 0.38
PBRM1 Q86U86 2/20 0.38
METAP2 P50579 2/20 0.38

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
Hydrochloric Acid SCHEMBL6336102 0.98 SMPD3 (0.47) SMPD3PDE10APRKDCCDK1CDK2
SCHEMBL113232 0.90 SMPD3 (0.55) SMPD3PDE10ACDK1CDK2PTPN11
SCHEMBL2413653 0.86 SMPD3 (0.47) SMPD3PDE10APRKDCCDK1CDK2
SCHEMBL2068649 0.84 SMPD3 (0.46) SMPD3PDE10APRKDCCDK1CDK2
SCHEMBL2069373 0.84 SMPD3 (0.46) SMPD3PDE10APRKDCCDK1CDK2
SCHEMBL2069375 0.84 SMPD3 (0.46) SMPD3PDE10APRKDCCDK1CDK2
SCHEMBL2415129 0.82 HRH4 (0.53) PDE10APTPN11MAP4K4
SCHEMBL2410696 0.82 SMPD3 (0.50) SMPD3PDE10ASMARCA2SMARCA4PBRM1
SCHEMBL2412342 0.81 SMPD3 (0.43) SMPD3PDE10APRKDCCDK1CDK2
SCHEMBL2411465 0.81 PRKAB2 (0.48) SMPD3PDE10APRKDC

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 17 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
EP-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP disclosed
US-7179307-B2 Use of an extract of myrsine africana in oxidation dyeing for dyeing keratin fibres L'OREAL, S.A. (FR) 2007-02-20 US disclosed
CN-1250192-C 2,5-diaminopyridine oxidation color display alkali for dyeing keratin fibre OREAL (FR) 2006-04-12 CN disclosed
US-20060010618-A1 Use of an extract of Myrsine africana in oxidation dyeing for dyeing keratin fibres L'OREAL S.A. 2006-01-19 US disclosed
US-6974485-B2 Use of an extract of Myrsine africana in oxidation dyeing for dyeing keratin fibres L'OREAL S.A. (FR) 2005-12-13 US 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
US-20030115687-A1 Use of an extract of Myrsine africana in oxidation dyeing for dyeing keratin fibres L'OREAL S.A. (FR) 2003-06-26 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 (3 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 SMPD3 3953/4885PDE10A 3263/4885PRKDC 156/4885
US-20060010618-A1 Use of an extract of Myrsine africana in oxidation dyeing for dyeing keratin fibres KRT18, TUBB8, TUBB SMPD3 3850/4885PDE10A 4604/4885PRKDC 1012/4885
US-20030115687-A1 Use of an extract of Myrsine africana in oxidation dyeing for dyeing keratin fibres KRT18, TUBB8, TUBB SMPD3 3850/4885PDE10A 4604/4885PRKDC 1012/4885

“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.