SCHEMBL5373084

SCHEMBL5373084

Cc1nc(N2CCC(O)C2)cn1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.37
PRKDC P78527 1/20 0.37
IKBKB O14920 3/20 0.37
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
METAP2 P50579 2/20 0.35
CNR2 P34972 3/20 0.35
SMPD3 Q9NY59 4/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL5372890 0.81 CNR2 (0.37) PDE10APRKDCIKBKBMETAP2CNR2
SCHEMBL5383820 0.80 IRAK1 (0.41) PDE10APRKDCIRAK1IRAK4CNR2
SCHEMBL5378310 0.78 PRKDC (0.41) PDE10APRKDCMETAP2
SCHEMBL5374981 0.72 CNR2 (0.38) PDE10APRKDCIRAK1IRAK4CNR2
SCHEMBL5387398 0.72 SMN1; SMN2 (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21345364 0.71 HTR3E (0.54) PDE10APRKDCPIM1PIM3PIM2
SCHEMBL22873583 0.71 HRH4 (0.47) PRKDCIKBKBMETAP2
SCHEMBL21345365 0.71 HTR3E (0.54) PDE10APRKDCPIM1PIM3PIM2
SCHEMBL15139647 0.71 PIM1 (0.45) PDE10APRKDCMETAP2SMPD3PIM1
SCHEMBL22873765 0.71 HRH4 (0.47) PRKDCIKBKBMETAP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US claimed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US claimed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 EP claimed
US-7238212-B2 Imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2007-07-03 US disclosed
US-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers L'OREAL, S.A. (FR) 2005-01-20 US disclosed
EP-1484049-A1 Imidazole compounds and their use for dyeing of keratinous fibres L'OREAL (FR) 2004-12-08 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-20050011019-A1 Novel imidazole compounds and use of these compounds for dyeing keratinous fibers KRT18, VIM, NDUFS6 PDE10A 3476/4885PRKDC 54/4885IKBKB 1683/4885

“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.