SCHEMBL980914

SCHEMBL980914

C#Cc1nc(C)n(-c2cc[nH]c(=O)c2)c1C.Cc1cc2ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
ALDH2 P05091 1/20 0.34
CFTR P13569 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL978640 0.82 KDM1A (0.31)
SCHEMBL981050 0.79 PDE3B (0.38) PDE3BPDE3AALDH2CFTR
SCHEMBL981323 0.78 PIK3CD (0.34)
SCHEMBL980692 0.77 FASN (0.31)
SCHEMBL980041 0.75 PDE10A (0.33)
SCHEMBL983117 0.70 PDE3B (0.35) PDE3BPDE3AALDH1A1LMNAMAPT
SCHEMBL980911 0.70 GRM5 (0.41) ALDH1A1HTTSMN1; SMN2
SCHEMBL6864903 0.68 GRM5 (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL981471 0.68 GRM5 (0.44)
SCHEMBL980901 0.67 GRM5 (0.65)

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 PDE3B 998/4885PDE3A 776/4885ALDH2 1578/4885

“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.