Sugi Predict

Sugi Predict / Compounds / SCHEMBL370071

SCHEMBL370071

SCHEMBL370071

COc1ccc(Cn2cc3c(n2)C(=O)CCc2sc(Nc4nccc(C)n4)nc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.44
▸ GRM8 O00222 1/20 0.38
▸ MAPT P10636 6/20 0.36
▸ TP53 P04637 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 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
SCHEMBL367983 0.87 GRM4 (0.49) GRM4GRM8MAPTTP53SMN1; SMN2
SCHEMBL15260978 0.85 GRM4 (0.45) GRM4GRM8MAPTTP53SMN1; SMN2
SCHEMBL365918 0.85 GRM4 (0.43) GRM4GRM8MAPTTP53SMN1; SMN2
SCHEMBL370384 0.84 GRM4 (0.43) GRM4GRM8MAPTTP53SMN1; SMN2
SCHEMBL368910 0.83 GRM4 (0.42) GRM4GRM8MAPTTP53SMN1; SMN2
SCHEMBL369101 0.83 MAPT (0.47) MAPTTP53SMN1; SMN2KMT2AKDM4E
SCHEMBL15303100 0.83 GRM4 (0.42) GRM4GRM8MAPTTP53SMN1; SMN2
SCHEMBL370746 0.81 GRM4 (0.41) GRM4GRM8SMN1; SMN2KDM4EALDH1A1
SCHEMBL369405 0.81 GRM4 (0.40) GRM4GRM8MAPTSMN1; SMN2KMT2A
SCHEMBL369801 0.81 GRM4 (0.40) GRM4GRM8MAPTSMN1; SMN2KMT2A

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 5 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-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 — — WO 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
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 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 19/4885MAPT 1266/4885

“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.