SCHEMBL981485

SCHEMBL981485

CNC(=O)Cn1ccc(-n2ccnc2C#Cc2ccc(C)cc2C)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
TP53 P04637 3/20 0.38
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 4/20 0.34
POLB P06746 1/20 0.33
PSMB5 P28074 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL14889524 0.89 ALDH1A1 (0.36) TP53MAPTLMNAPOLBNPC1
SCHEMBL980057 0.88 ALDH1A1 (0.39) TP53LMNAPOLB
SCHEMBL979704 0.86 GRIN2B (0.38) TP53
SCHEMBL981482 0.86 TP53 (0.33) TP53POLB
SCHEMBL978762 0.86 LMNA (0.37) TP53HSD17B10LMNAPOLBGAA
SCHEMBL978620 0.85 TP53 (0.34) TP53
SCHEMBL978968 0.85 TP53 (0.36) TP53LMNAPOLBNPC1GAA
SCHEMBL981196 0.82 PDE10A (0.34) TP53LMNA
SCHEMBL979169 0.80 KDM1A (0.36) TP53
SCHEMBL981322 0.75 EGFR (0.34) TP53MAPT

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 PLK1 2738/4885TP53 4689/4885HSD17B10 2591/4885

“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.