SCHEMBL9902818

SCHEMBL9902818

COc1cnc2ncc(C#Cc3ccccc3)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
GRM5 P41594 11/20 0.48
EGFR P00533 2/20 0.44
KCNH2 Q12809 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL9902642 0.74 GRM5 (0.51) PDGFRBPDGFRAGRM5
SCHEMBL6821195 0.73 GRM5 (0.56) PDGFRBPDGFRAGRM5EGFR
SCHEMBL31060615 0.72 PDGFRB (1.00) PDGFRBPDGFRAEGFR
SCHEMBL4858200 0.69 PDGFRB (0.46) PDGFRBPDGFRAGRM5EGFRKCNH2
Hydrochloric Acid SCHEMBL4864461 0.68 PDGFRB (0.45) PDGFRBPDGFRAGRM5EGFRKCNH2
SCHEMBL4526835 0.68 HTT (0.68) KDM4ENPC1HTTRAB9ANPSR1
SCHEMBL18253192 0.67 ALDH1A1 (0.65) PDGFRBPDGFRAGRM5EGFR
SCHEMBL1476734 0.65 GRM5 (0.69) PDGFRBPDGFRAGRM5
SCHEMBL9902619 0.65 GRM5 (0.51) PDGFRBPDGFRAGRM5
SCHEMBL14975833 0.65 EGFR (0.43) PDGFRBPDGFRAGRM5EGFRKCNH2

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 PDGFRB 2633/4885PDGFRA 2220/4885GRM5 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.