SCHEMBL369405

SCHEMBL369405

COc1ccc(Cn2cc3c(n2)CC(C)Cc2sc(Nc4nccc(C)n4)nc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.40
MAPT P10636 2/20 0.36
GRM8 O00222 1/20 0.35
GRM5 P41594 1/20 0.35
AADAT Q8N5Z0 1/20 0.34
ACHE P22303 3/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
PSMD14 O00487 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
SYK P43405 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 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
SCHEMBL369801 0.92 GRM4 (0.40) GRM4MAPTGRM8AADATACHE
SCHEMBL6837356 0.91 GRM4 (0.39) GRM4MAPTGRM8AADATACHE
SCHEMBL367983 0.88 GRM4 (0.49) GRM4MAPTGRM8ACHENPC1
SCHEMBL370838 0.85 GRM4 (0.35) GRM4MAPTGRM8AADATACHE
SCHEMBL369301 0.85 GRM4 (0.39) GRM4MAPTGRM8ACHENPC1
SCHEMBL15260933 0.84 GRM4 (0.39) GRM4GRM8AADATACHENPC1
SCHEMBL370384 0.83 GRM4 (0.43) GRM4MAPTGRM8ACHENPC1
SCHEMBL6837269 0.83 GRM4 (0.37) GRM4MAPTGRM8AADATACHE
SCHEMBL6837341 0.83 GRM4 (0.41) GRM4GRM8ACHENPC1PKM
SCHEMBL365918 0.82 GRM4 (0.43) GRM4MAPTGRM8AADATACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. 2013-09-26 US disclosed
EP-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 EP disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO 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-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 GRM4 1/4885MAPT 1266/4885GRM8 19/4885

“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.