SCHEMBL9903341

SCHEMBL9903341

Oc1ccc(C#Cc2cnc3nccnc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.43
GRM5 P41594 3/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
EGLN1 Q9GZT9 6/20 0.33
PIK3CG P48736 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL9903123 0.83 GRM5 (0.49) GRM5CCNB2CDK1CCNB1GSK3A
SCHEMBL9903655 0.83 EGLN1 (0.40) GRM5CCNB2CDK1CCNB1GSK3A
SCHEMBL9903447 0.83 GRM5 (0.36) GRM5CCNB2CDK1CCNB1CCNB3
SCHEMBL9902642 0.83 GRM5 (0.51) APPGRM5
SCHEMBL9903176 0.83 PIK3CA (0.40) GRM5PIK3CG
SCHEMBL9903508 0.78 CHRNB2 (0.35) GRM5PIK3CG
SCHEMBL9902646 0.75 AAK1 (0.49) GRM5
SCHEMBL9903429 0.74 GRM5 (0.47) GRM5PIK3CGMEN1KMT2A
SCHEMBL9903707 0.73 GRM5 (0.55) GRM5EGLN1ABL1
SCHEMBL9902678 0.73 GRM5 (0.43) GRM5ABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US claimed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP claimed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 APP 1518/4885GRM5 1/4885CCNB2 4524/4885

“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.