SCHEMBL9903708

SCHEMBL9903708

Cc1ccccc1C#Cc1cnc2cccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
FFAR1 O14842 3/20 0.39
GRM5 P41594 3/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.36
S1PR1 P21453 1/20 0.36
FPR1 P21462 1/20 0.36
FPR3 P25089 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
SLC16A3 O15427 2/20 0.36

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
SCHEMBL9903402 0.82 FFAR1 (0.39) ABL1BCRFFAR1GRM5PDGFRB
SCHEMBL9902914 0.82 CHRNB2 (0.41) GRM5PDGFRBPDGFRAALDH1A1
SCHEMBL11300052 0.82 ALDH1A1 (0.55) ABL1BCRFFAR1GRM5PDGFRB
SCHEMBL9902619 0.81 GRM5 (0.51) GRM5PDGFRBPDGFRAALDH1A1
SCHEMBL9902856 0.80 GRM5 (0.47) GRM5PDGFRBPDGFRAALDH1A1
SCHEMBL9905385 0.79 NOS3 (0.43) GRM5PDGFRBPDGFRAALDH1A1
SCHEMBL9903388 0.78 ALDH1A1 (0.39) GRM5PDGFRBKDRALDH1A1
SCHEMBL9903420 0.78 GRM5 (0.55) FFAR1GRM5PDGFRBPDGFRAALDH1A1
SCHEMBL9903498 0.77 GRM5 (0.46) GRM5PDGFRBPDGFRA
SCHEMBL9902735 0.76 PIK3CA (0.42) GRM5PDGFRBPDGFRAALDH1A1CHRM2

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 ABL1 2470/4885BCR 3037/4885FFAR1 246/4885

“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.