SCHEMBL3640301

SCHEMBL3640301

Cc1cccc(NCc2c[nH]nc2C(C)(C)C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
MAPT P10636 4/20 0.49
TP53 P04637 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR4 P51679 1/20 0.36
ADRA2C P18825 3/20 0.36
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL3639654 0.89 ADRA2C (0.48) GAAMAPTTP53HSD17B10MAPK1
SCHEMBL3632467 0.80 MAPK14 (0.39) MAPTMAPK1KMT2AMEN1
SCHEMBL3632811 0.80 EPHB3 (0.42) GAAMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL3635034 0.80 L3MBTL1 (0.50) GAAMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL3633918 0.78 GAA (0.39) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL3635065 0.78 MAPT (0.48) GAAMAPTMAPK1ALDH1A1KMT2A
SCHEMBL3635849 0.78 GAA (0.49) GAAMAPTMAPK1ALDH1A1LMNA
SCHEMBL3638046 0.78 L3MBTL1 (0.46) GAAMAPTTP53HSD17B10MAPK1
SCHEMBL3641519 0.78 ALDH1A1 (0.45) GAAMAPTTP53HSD17B10MAPK1
SCHEMBL3635913 0.76 MAPT (0.49) MAPTALDH1A1KMT2ALMNAL3MBTL1

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 572/4885TP53 4848/4885

“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.