SCHEMBL3633663

SCHEMBL3633663

Cc1cccc(NCc2c[nH]nc2-c2cccs2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
PAX8 Q06710 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
AHR P35869 1/20 0.36
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35

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
SCHEMBL3638003 0.90 ADRA2C (0.46) GAAMAPTHSD17B10TP53HTT
SCHEMBL3633954 0.82 MAPT (0.45) GAAMAPTTP53ALDH1A1KMT2A
SCHEMBL3637037 0.82 GAA (0.46) GAAMAPTHTTALDH1A1KMT2A
SCHEMBL3634725 0.81 SMN1; SMN2 (0.46) GAAMAPTHSD17B10MAPK1HTT
SCHEMBL3638176 0.81 MAPT (0.43) GAAMAPTMAPK1HTTALDH1A1
SCHEMBL3635672 0.81 MAPT (0.39) GAAMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL3636396 0.81 L3MBTL1 (0.43) GAAMAPTHSD17B10MAPK1HTT
SCHEMBL3635679 0.81 ALDH1A1 (0.41) GAAMAPTHSD17B10MAPK1HTT
SCHEMBL3640227 0.80 NR1H4 (0.45) GAAMAPTHSD17B10TP53MAPK1
SCHEMBL3639359 0.78 MAPT (0.40) GAAMAPTHSD17B10TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 US 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 GAA 2566/4885MAPT 572/4885HSD17B10 1924/4885

“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.