SCHEMBL9903123

SCHEMBL9903123

Cc1ccc(C#Cc2cnc3nccnc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.49
PIK3CG P48736 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
KCNH2 Q12809 1/20 0.35
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
ADK P55263 2/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34

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
SCHEMBL9903655 0.83 EGLN1 (0.40) GRM5CCNB2CDK1CCNB1GSK3A
SCHEMBL9903341 0.83 APP (0.43) GRM5PIK3CGCA12CA2CA9
SCHEMBL9903447 0.83 GRM5 (0.36) GRM5KCNH2CCNB2CDK1CCNB1
SCHEMBL9902642 0.83 GRM5 (0.51) GRM5PDGFRBPDGFRA
SCHEMBL9903176 0.83 PIK3CA (0.40) GRM5PIK3CGPDGFRBPDGFRA
SCHEMBL9903707 0.83 GRM5 (0.55) GRM5PDGFRBPDGFRACHRNB2
SCHEMBL9903258 0.81 PIK3CG (0.32) GRM5PIK3CGPDGFRBALDH1A1
SCHEMBL9903429 0.80 GRM5 (0.47) GRM5PIK3CGPDGFRBPDGFRA
SCHEMBL9902856 0.79 GRM5 (0.47) GRM5KCNH2PDGFRBPDGFRAALDH1A1
SCHEMBL9903402 0.78 FFAR1 (0.39) GRM5PIK3CGPDGFRBPDGFRA

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 GRM5 1/4885PIK3CG 2169/4885CA12 4538/4885

“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.