SCHEMBL5048090

SCHEMBL5048090

Cc1nc(CO)c(C)n1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
CDK9 P50750 2/20 0.33
CCNT1 O60563 1/20 0.33
NOTUM Q6P988 1/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL8989239 0.69 KDM4E (0.34) NOTUMALDH1A1KDM4E
SCHEMBL23441842 0.65 CDK9 (0.46) CNR2CDK9CCNT1JAK2JAK1
SCHEMBL5048349 0.65 ALDH1A1 (0.44) CNR2CDK9CCNT1NOTUMCLK1
SCHEMBL19615196 0.63 BRD4 (0.31)
SCHEMBL21281701 0.60 PDE4D (0.35)
SCHEMBL9274616 0.58 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL3519853 0.58 HCAR1 (0.42) CDK9CCNT1JAK2JAK1ALDH1A1
SCHEMBL11081273 0.58 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL23240264 0.58 PDE10A (0.30)
SCHEMBL22304746 0.57 PDE4A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100562520-C Imidazole derivatives iii HOFFMANN LA ROCHE (CH) 2009-11-25 CN disclosed
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
CN-1823054-A Imidazole derivatives iii HOFFMANN LA ROCHE (CH) 2006-08-23 CN 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 CNR2 49/4885CDK9 1354/4885CCNT1 2797/4885

“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.