SCHEMBL9903636

SCHEMBL9903636

Cc1ccc(C#Cc2cnc3ncnn3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.47
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KIT P10721 2/20 0.36
DDR1 Q08345 2/20 0.36
ABL1 P00519 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADK P55263 2/20 0.33
EGLN2 Q96KS0 2/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DDR2 Q16832 1/20 0.32

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
SCHEMBL9903818 0.84 GRM5 (0.37) GRM5
SCHEMBL1996090 0.83 GRM5 (0.44) GRM5PDE10AMEN1KMT2APDGFRB
SCHEMBL6316118 0.79 GRM5 (0.44) GRM5KITDDR1CA12CA1
SCHEMBL1990408 0.77 PDE10A (0.35) KDM4EPDE10A
SCHEMBL9903131 0.76 KIT (0.56) GRM5KITDDR1DDR2
SCHEMBL9297200 0.75 PDE10A (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9903515 0.73 GRM5 (0.43) GRM5
SCHEMBL9903492 0.73 GRM5 (0.36) GRM5KDM4EALDH1A1KITDDR1
SCHEMBL9902683 0.73 GRM5 (0.36) GRM5KDM4EALDH1A1HPGDABL1
SCHEMBL1992121 0.72 NPC1 (0.61) GRM5KDM4EALDH1A1KITDDR1

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 GRM5 1/4885KDM4E 1958/4885ALDH1A1 3284/4885

“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.