SCHEMBL9903258

SCHEMBL9903258

Cc1ccc(C#Cc2cnc3nccnc3c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.32
GRM5 P41594 3/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
ALDH1A1 P00352 2/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL9903554 0.86 GRM5 (0.39) GRM5
SCHEMBL9903388 0.83 ALDH1A1 (0.39) GRM5PDGFRBKDRALDH1A1
SCHEMBL9903330 0.82 CHRNB2 (0.41) GRM5PDGFRB
SCHEMBL9903123 0.81 GRM5 (0.49) PIK3CGGRM5PDGFRBALDH1A1
SCHEMBL9903429 0.78 GRM5 (0.47) PIK3CGGRM5PDGFRB
SCHEMBL9903707 0.77 GRM5 (0.55) GRM5PDGFRBFFAR1
SCHEMBL9903402 0.76 FFAR1 (0.39) PIK3CGGRM5PDGFRBFFAR1
SCHEMBL9903655 0.75 EGLN1 (0.40) GRM5
SCHEMBL9902798 0.74 BRAF (0.38) GRM5PDGFRBALDH1A1
SCHEMBL9903508 0.73 CHRNB2 (0.35) PIK3CGGRM5

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 PIK3CG 2169/4885GRM5 1/4885CYP11B1 2654/4885

“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.