SCHEMBL5378533

SCHEMBL5378533

OCCn1c(N2CCC(O)C2)cnc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.38
AURKA O14965 2/20 0.38
PIM1 P11309 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
PDPK1 O15530 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKCG P05129 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
MET P08581 1/20 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
SCHEMBL5383817 0.82 IRAK4 (0.41) IRAK4AURKAPIM1CDC7PLK4
SCHEMBL5375104 0.82 HSD17B10 (0.40) ROCK2MAPK1ROCK1MEN1KMT2A
SCHEMBL5371605 0.81 ALDH1A1 (0.41) CDC7MARK3MAPK1STK3MEN1
SCHEMBL5372887 0.81 ALDH1A1 (0.43) IRAK4MAPK1IRAK1CNR2LMNA
SCHEMBL5374769 0.79 AURKA (0.40) IRAK4AURKAPIM1CDC7PLK4
SCHEMBL5369627 0.76 MAPK1 (0.37) IRAK4AURKAPIM1CDC7PLK4
SCHEMBL5369630 0.76 CNR2 (0.38) IRAK4AURKAPIM1CDC7PLK4
SCHEMBL5378536 0.73 PRKDC (0.38) IRAK4AURKAPIM1CDC7PLK4
SCHEMBL5378305 0.69 AVPR1A (0.40) IRAK4IRAK1ABL1CNR2
SCHEMBL5366214 0.68 KDM4E (0.41) CDC7CHEK1LCKFYNFGFR1

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 IRAK4 2412/4885AURKA 1343/4885PIM1 1345/4885

“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.