SCHEMBL980040

SCHEMBL980040

Cc1cc(C)c(C#Cc2nccn2-c2ccn(CCO)c(=O)c2)cc1C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
EGFR P00533 1/20 0.31
FPR2 P25090 1/20 0.30
KDR P35968 1/20 0.30
TP53 P04637 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
SCHEMBL978620 0.90 TP53 (0.34) PTGDR2TP53
SCHEMBL981322 0.88 EGFR (0.34) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL979774 0.88 ACACB (0.34) PTGDR2EGFRKDR
SCHEMBL978639 0.84 KDM1A (0.37) PTGDR2EGFRTP53
SCHEMBL981196 0.78 PDE10A (0.34) PTGDR2EGFRTP53
SCHEMBL981482 0.77 TP53 (0.33) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL14889524 0.77 ALDH1A1 (0.36) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL978968 0.77 TP53 (0.36) TP53
SCHEMBL980057 0.76 ALDH1A1 (0.39) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL980913 0.75 EGFR (0.31) PTGDR2EGFRTP53

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 PTGDR2 179/4885PDE4A 1584/4885PDE4B 1621/4885

“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.