SCHEMBL9903456

SCHEMBL9903456

Cn1cnc2cc(C#Cc3ccccc3)cnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 1.00
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
GRM4 Q14833 2/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB1 P11230 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNB3 Q05901 1/20 0.39
APP P05067 1/20 0.39
TNIK Q9UKE5 1/20 0.39

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
SCHEMBL9903377 0.84 GRM5 (0.73) GRM5TNIK
SCHEMBL9903825 0.84 GRM5 (0.72) GRM5
SCHEMBL18946207 0.79 GRM5 (0.65) GRM5TNIK
SCHEMBL24463055 0.76 GRM5 (0.61) GRM5CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL2051024 0.73 GRM5 (0.65) GRM5GRM4
SCHEMBL678784 0.71 GRM5 (0.55) GRM5GRM4
SCHEMBL2767773 0.69 GRM5 (0.52) GRM5GRM4
SCHEMBL9902642 0.68 GRM5 (0.51) GRM5PDGFRBPDGFRAGRM4APP
SCHEMBL9902619 0.68 GRM5 (0.51) GRM5PDGFRBPDGFRAAPP
SCHEMBL10238681 0.67 GRM5 (0.50) GRM5

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 1/4885PDGFRB 2633/4885PDGFRA 2220/4885

“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.