SCHEMBL9903391

SCHEMBL9903391

Nc1ccc(C#Cc2cnc3cccnc3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.45
PIK3CA P42336 10/20 0.45
ADK P55263 1/20 0.38

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
SCHEMBL9902843 0.81 AAK1 (0.50) MTORPIK3CA
SCHEMBL9902619 0.80 GRM5 (0.51)
SCHEMBL9902856 0.79 GRM5 (0.47)
SCHEMBL9903795 0.79 NR4A2 (0.42)
SCHEMBL9903615 0.79 EGLN1 (0.39)
SCHEMBL9905385 0.79 NOS3 (0.43) MTORPIK3CA
SCHEMBL9902735 0.79 PIK3CA (0.42) MTORPIK3CA
SCHEMBL9903770 0.78 MTOR (0.40) MTORPIK3CA
SCHEMBL6157594 0.77 ALDH1A1 (0.38)
SCHEMBL9903071 0.76 NTRK3 (0.39)

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 3 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
CN-102471334-A Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO KGAA 2012-05-23 CN 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 MTOR 2226/4885PIK3CA 2885/4885ADK 843/4885

“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.