SCHEMBL5043858

SCHEMBL5043858

Cc1nc(I)cn1CC(F)F

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.31
CDK9 P50750 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30

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
SCHEMBL18041518 0.70 NPC1 (0.48)
SCHEMBL30341097 0.69
SCHEMBL24977818 0.65
SCHEMBL22058063 0.61 KDM4E (0.39)
SCHEMBL1485131 0.61
SCHEMBL30340522 0.61
SCHEMBL13274541 0.61 RPS6KB1 (0.50) PDE10ADYRK1A
SCHEMBL15543937 0.60 TGFBR1 (0.35)
SCHEMBL16427332 0.60 MEN1 (0.33)
SCHEMBL23989354 0.60 KCNH2 (0.38) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644351-B1 Imidazole derivatives and their use in the treatment of mGluR5 receptor mediated disorders HOFFMANN LA ROCHE (CH) 2008-03-05 EP disclosed
US-7091222-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-15 US disclosed
EP-1644351-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
US-20050009878-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-01-13 US 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-20050009878-A1 Imidazole derivatives GRIK5, GRM5, GRIK4 PDE10A 357/4885CDK9 1354/4885DYRK1A 2700/4885

“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.