SCHEMBL979171

SCHEMBL979171

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
TLR8 Q9NR97 1/20 0.31
BRD4 O60885 2/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
CREBBP Q92793 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
MCHR1 Q99705 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 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 0.86 PDE10A (0.33) TLR8
SCHEMBL981198 0.84 PDE10A (0.35) BRD4BRD9BRD7
SCHEMBL980984 0.83 TLR8 (0.32) TLR8CREBBP
SCHEMBL978969 0.83 TLR8 (0.32) TLR8
SCHEMBL981050 0.83 PDE3B (0.38) BRD4
SCHEMBL980059 0.82 ALDH1A1 (0.31)
SCHEMBL981486 0.80 PLK1 (0.37)
SCHEMBL979705 0.80 GRIN2B (0.36)
SCHEMBL981015 0.79 CYP11B2 (0.33) MCHR1
SCHEMBL978763 0.78 BRD4 (0.35) BRD4MCHR1BRD9BRD7

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 KDM1A 1164/4885TLR8 725/4885BRD4 667/4885

“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.