SCHEMBL980057

SCHEMBL980057

Cc1ccc(C#Cc2nccn2-c2ccn(CC(N)=O)c(=O)c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
POLB P06746 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL14889524 0.91 ALDH1A1 (0.36) ALDH1A1TP53KDM4EHTTSMN1; SMN2
SCHEMBL981485 0.88 PLK1 (0.39) TP53LMNAPOLB
SCHEMBL979704 0.88 GRIN2B (0.38) TP53
SCHEMBL981482 0.88 TP53 (0.33) ALDH1A1TP53PDE4APDE4BPDE4C
SCHEMBL978762 0.87 LMNA (0.37) ALDH1A1TP53KDM4ESMN1; SMN2LMNA
SCHEMBL978620 0.87 TP53 (0.34) ALDH1A1TP53KDM4EHTTSMN1; SMN2
SCHEMBL978968 0.87 TP53 (0.36) ALDH1A1TP53KDM4EHTTSMN1; SMN2
SCHEMBL981196 0.83 PDE10A (0.34) ALDH1A1TP53KDM4EHTTSMN1; SMN2
SCHEMBL979169 0.82 KDM1A (0.36) TP53PTGDR2
SCHEMBL981322 0.77 EGFR (0.34) TP53PDE4APDE4BPDE4CPDE4D

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-2456765-B1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-05-01 EP disclosed
US-8334287-B2 Imidazoles HOFFMANN-LA ROCHE INC. (US) 2012-12-18 US disclosed
EP-2456765-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
WO-2011006910-A1 IMIDAZOLE DERIVATIVES AS MGLUR5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 WO disclosed
US-20110015202-A1 IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2011-01-20 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-20110015202-A1 IMIDAZOLES GRM5, GRM1, GRIK5 ALDH1A1 1642/4885TP53 4689/4885KDM4E 1373/4885

“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.