SCHEMBL3636282

SCHEMBL3636282

CCCC(=O)c1cccc(NCc2c[nH]nc2-c2cccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 2/20 0.37
FRK P42685 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
HTR2B P41595 1/20 0.37
EGFR P00533 1/20 0.37
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL3634740 0.90 FRK (0.46) ADORA2AADORA1ADORA3HSD17B10ALDH1A1
SCHEMBL4922023 0.83 MEN1 (0.46) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL3640796 0.82 FRK (0.53) FRKCAMK2BCAMK2GCAMK2DHTR2B
SCHEMBL3639976 0.79 POLB (0.37) ADORA2AADORA1MEN1KMT2AMAPK1
SCHEMBL3633010 0.79 EGFR (0.40) ALDH1A1FRKCAMK2BCAMK2GCAMK2D
SCHEMBL3641293 0.78 POLB (0.46) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL3638148 0.78 KDM4E (0.47) MEN1KMT2AALDH1A1POLBEGFR
SCHEMBL3635359 0.78 NOS1 (0.41) ADORA2AMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3636752 0.78 POLB (0.35) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL3637833 0.77 NOS1 (0.44) MEN1KMT2AMAPK1ALDH1A1POLB

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-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US claimed
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 ADORA2A 112/4885ADORA1 299/4885ADORA3 291/4885

“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.