SCHEMBL367983

SCHEMBL367983

COc1ccc(Cn2cc3c(n2)CCCCc2sc(Nc4nccc(C)n4)nc2-3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.49
GRM8 O00222 1/20 0.39
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 2/20 0.36
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.34
CFTR P13569 1/20 0.34
GAA P10253 2/20 0.34
PSMD14 O00487 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL365918 0.88 GRM4 (0.43) GRM4GRM8THRBSMN1; SMN2ALDH1A1
SCHEMBL369405 0.88 GRM4 (0.40) GRM4GRM8LMNATHRBSMN1; SMN2
SCHEMBL369801 0.88 GRM4 (0.40) GRM4GRM8THRBSMN1; SMN2ALDH1A1
SCHEMBL6837300 0.87 GRM4 (0.40) GRM4LMNATHRBSMN1; SMN2ALDH1A1
SCHEMBL369301 0.87 GRM4 (0.39) GRM4GRM8LMNATHRBSMN1; SMN2
SCHEMBL6837356 0.87 GRM4 (0.39) GRM4GRM8THRBSMN1; SMN2ALDH1A1
SCHEMBL370071 0.87 GRM4 (0.44) GRM4GRM8THRBSMN1; SMN2ALDH1A1
SCHEMBL15260978 0.86 GRM4 (0.45) GRM4GRM8SMN1; SMN2ALDH1A1PKM
SCHEMBL15303100 0.86 GRM4 (0.42) GRM4GRM8SMN1; SMN2ALDH1A1PKM
SCHEMBL370384 0.85 GRM4 (0.43) GRM4GRM8SMN1; SMN2ALDH1A1PKM

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 1/4885GRM8 19/4885LMNA 4688/4885

“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.