SCHEMBL981483

SCHEMBL981483

C#Cc1cn(-c2ccn(CC)c(=O)c2)c(C)n1.Cc1cc2ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PKM P14618 1/20 0.33
SOS1 Q07889 1/20 0.31
PDE10A Q9Y233 2/20 0.30
AOC3 Q16853 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
SCHEMBL978621 0.89 PDE10A (0.33) PDE10A
SCHEMBL980059 0.87 ALDH1A1 (0.31)
SCHEMBL981198 0.87 PDE10A (0.35) PDE10A
SCHEMBL979171 0.86 KDM1A (0.35) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL979705 0.86 GRIN2B (0.36) SOS1
SCHEMBL981486 0.86 PLK1 (0.37)
SCHEMBL981323 0.79 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL980984 0.79 TLR8 (0.32)
SCHEMBL981050 0.78 PDE3B (0.38)
SCHEMBL978763 0.75 BRD4 (0.35) PIK3CG

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 PIK3CD 2164/4885PIK3CA 2680/4885PIK3CB 2443/4885

“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.