SCHEMBL9903176

SCHEMBL9903176

C(#Cc1cnc2nccnc2c1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
GRM5 P41594 7/20 0.37
CHRM2 P08172 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PIK3CG P48736 2/20 0.35
PIK3CD O00329 1/20 0.35
PDK1 Q15118 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
FFAR1 O14842 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
SCHEMBL9902642 0.86 GRM5 (0.51) GRM5PDGFRBPDGFRA
SCHEMBL9903447 0.83 GRM5 (0.36) GRM5FFAR1
SCHEMBL9903655 0.83 EGLN1 (0.40) GRM5
SCHEMBL9903341 0.83 APP (0.43) GRM5PIK3CG
SCHEMBL9903123 0.83 GRM5 (0.49) GRM5PIK3CGPDGFRBPDGFRA
SCHEMBL9902646 0.81 AAK1 (0.49) PIK3CAMTORGRM5PDK1
SCHEMBL9903508 0.77 CHRNB2 (0.35) GRM5PIK3CG
SCHEMBL9902735 0.77 PIK3CA (0.42) PIK3CAMTORGRM5CHRM2SIGMAR1
SCHEMBL9902678 0.76 GRM5 (0.43) GRM5
SCHEMBL9903707 0.76 GRM5 (0.55) GRM5PDGFRBPDGFRAFFAR1

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 PIK3CA 2885/4885MTOR 2226/4885GRM5 1/4885

“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.