SCHEMBL980913

SCHEMBL980913

Cc1cc(C)c(C#Cc2nccn2-c2cc[nH]c(=O)c2)cc1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.31
TP53 P04637 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL981048 0.88 TP53 (0.33) EGFRTP53ALDH1A1
SCHEMBL978639 0.83 KDM1A (0.37) EGFRTP53PTGDR2
SCHEMBL981322 0.78 EGFR (0.34) EGFRTP53
SCHEMBL979774 0.74 ACACB (0.34) EGFRPTGDR2BRD4
SCHEMBL983502 0.73 PTGDR2 (0.31) PTGDR2
SCHEMBL979169 0.71 KDM1A (0.36) EGFRTP53PTGDR2
SCHEMBL981482 0.67 TP53 (0.33) EGFRTP53ALDH1A1
SCHEMBL981146 0.66 KDR (0.32) EGFRPTGDR2
SCHEMBL980982 0.65 TP53 (0.30) TP53
SCHEMBL978620 0.65 TP53 (0.34) TP53PTGDR2ALDH1A1

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 EGFR 486/4885TP53 4689/4885PTGDR2 179/4885

“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.