SCHEMBL9903508

SCHEMBL9903508

Fc1cc(F)cc(C#Cc2cnc3nccnc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
GRM5 P41594 2/20 0.35
NTRK3 Q16288 1/20 0.33
PIK3CG P48736 1/20 0.32

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 0.85 EGLN1 (0.40) CHRNB2CHRNA4GRM5
SCHEMBL9903557 0.84 GRM5 (0.43) GRM5
SCHEMBL9903554 0.79 GRM5 (0.39) GRM5
SCHEMBL9903341 0.78 APP (0.43) GRM5PIK3CG
SCHEMBL9902798 0.78 BRAF (0.38) GRM5
SCHEMBL9902642 0.77 GRM5 (0.51) GRM5
SCHEMBL9903176 0.77 PIK3CA (0.40) GRM5PIK3CG
SCHEMBL9903071 0.77 NTRK3 (0.39) CHRNB2CHRNA4GRM5NTRK3
SCHEMBL9903330 0.76 CHRNB2 (0.41) CHRNB2CHRNA4GRM5
SCHEMBL9903429 0.75 GRM5 (0.47) GRM5PIK3CG

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 2 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 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 CHRNB2 296/4885CHRNA4 103/4885GRM5 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.