SCHEMBL9903447

SCHEMBL9903447

Clc1ccc(C#Cc2cnc3nccnc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.36
ADK P55263 7/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
FFAR1 O14842 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NR4A2 P43354 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 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
SCHEMBL9903655 0.83 EGLN1 (0.40) GRM5CCNB2CDK1CCNB1CCNB3
SCHEMBL9903123 0.83 GRM5 (0.49) GRM5ADKCCNB2CDK1CCNB1
SCHEMBL9903341 0.83 APP (0.43) GRM5CCNB2CDK1CCNB1CCNB3
SCHEMBL9903176 0.83 PIK3CA (0.40) GRM5FFAR1
SCHEMBL9902642 0.83 GRM5 (0.51) GRM5
SCHEMBL9902678 0.83 GRM5 (0.43) GRM5KCNH2
SCHEMBL9903795 0.79 NR4A2 (0.42) GRM5KCNH2NR4A2NPC1RAB9A
SCHEMBL9903429 0.77 GRM5 (0.47) GRM5KMT2A
SCHEMBL9902646 0.75 AAK1 (0.49) GRM5
SCHEMBL9903508 0.75 CHRNB2 (0.35) GRM5

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 GRM5 1/4885ADK 843/4885CCNB2 4524/4885

“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.