SCHEMBL9903113

SCHEMBL9903113

Fc1cccc(C#Cc2cnc3ccnn3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIT P10721 13/20 0.44
DDR1 Q08345 12/20 0.44
BRAF P15056 1/20 0.43
GRM5 P41594 5/20 0.43
DDR2 Q16832 2/20 0.43

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
SCHEMBL9902753 0.88 KIT (0.46) KITDDR1BRAFDDR2
SCHEMBL9902904 0.84 BRAF (0.46) KITDDR1BRAFDDR2
SCHEMBL6316340 0.83 CA12 (0.41) GRM5
SCHEMBL1991466 0.82 KIT (0.51) KITDDR1BRAFGRM5DDR2
SCHEMBL9903515 0.80 GRM5 (0.43) GRM5
SCHEMBL1991649 0.80 NPC1 (0.49) GRM5
SCHEMBL31533194 0.79 KIT (0.53) KITDDR1DDR2
SCHEMBL21855118 0.78 KIT (0.50) KITDDR1DDR2
SCHEMBL1993392 0.78 GRM5 (0.46) GRM5
SCHEMBL9903234 0.77 KIT (0.48) KITDDR1BRAFDDR2

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 KIT 4512/4885DDR1 3651/4885BRAF 4342/4885

“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.