SCHEMBL369225

SCHEMBL369225

COc1ccc(Cn2cc3c(n2)CC(C)Cc2sc(NC(=O)OC(C)(C)C)nc2-3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.45
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.39
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
TP53 P04637 6/20 0.38
TDP2 O95551 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AADAT Q8N5Z0 1/20 0.38
APAF1 O14727 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL366960 0.83 MAPT (0.44) MAPTRXFP1ALDH1A1LMNAMAPK1
SCHEMBL15261475 0.82 RXFP1 (0.42) MAPTRXFP1ALDH1A1LMNAMAPK1
SCHEMBL15261025 0.82 ACHE (0.40) MAPTRXFP1ALDH1A1LMNATHRB
SCHEMBL15261239 0.81 MAPT (0.40) MAPTRXFP1ALDH1A1LMNAMAPK1
SCHEMBL15260678 0.80 RXFP1 (0.41) MAPTRXFP1ALDH1A1LMNAMAPK1
SCHEMBL15260941 0.80 AADAT (0.42) MAPTALDH1A1LMNAACHEMEN1
SCHEMBL15261246 0.79 MAPT (0.39) MAPTRXFP1ALDH1A1LMNAMAPK1
SCHEMBL15260737 0.79 MAPT (0.41) MAPTRXFP1ALDH1A1LMNAMAPK1
SCHEMBL369405 0.78 GRM4 (0.40) MAPTALDH1A1LMNAMAPK1TDP1
SCHEMBL6837270 0.78 LCK (0.38) MAPTRXFP1ALDH1A1LMNAACHE

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 MAPT 1266/4885RXFP1 441/4885ALDH1A1 3331/4885

“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.