SCHEMBL3640778

SCHEMBL3640778

COc1cc(NCc2c[nH]nc2C(C)(C)C)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALPG P10696 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HIF1A Q16665 1/20 0.35
GPX4 P36969 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3633513 0.88 MAPT (0.52) MAPTALDH1A1TDP1ALPGHPGD
SCHEMBL3637131 0.87 GAA (0.47) MAPTALDH1A1TDP1HIF1ASMN1; SMN2
SCHEMBL3636265 0.85 DHFR (0.43) DHFRMAPTALDH1A1TDP1HPGD
SCHEMBL3632943 0.84 MAPT (0.43) MAPTALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL3637624 0.82 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1
SCHEMBL3634508 0.81 MAPT (0.52) DHFRMAPTALDH1A1TDP1LMNA
SCHEMBL3636895 0.79 LMNA (0.40) MAPTALDH1A1TDP1CLK1DYRK1A
SCHEMBL3640679 0.79 MAOB (0.40) MAPTALDH1A1TDP1ALPGHPGD
SCHEMBL3637050 0.79 DHFR (0.47) DHFRMAPTTDP1NPSR1LMNA
SCHEMBL3637578 0.79 GAA (0.45) MAPTALDH1A1TDP1HPGDGPX4

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 DHFR 1656/4885MAPT 572/4885ALDH1A1 3335/4885

“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.