SCHEMBL3638003

SCHEMBL3638003

Cc1ccccc1NCc1c[nH]nc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 4/20 0.42
GAA P10253 5/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ADRA2B P18089 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
SCD O00767 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3633663 0.90 GAA (0.44) ADRA2CKMT2AMEN1MAPTALDH1A1
SCHEMBL3637037 0.87 GAA (0.46) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3633954 0.87 MAPT (0.45) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL3634725 0.85 SMN1; SMN2 (0.46) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3635672 0.85 MAPT (0.39) ADRA2CKMT2AMEN1MAPTALDH1A1
SCHEMBL3636396 0.85 L3MBTL1 (0.43) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3640227 0.82 NR1H4 (0.45) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3638176 0.81 MAPT (0.43) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3635679 0.80 ALDH1A1 (0.41) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3639359 0.80 MAPT (0.40) KMT2AMAPTALDH1A1GAAKDM4E

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 ADRA2C 209/4885KMT2A 595/4885MEN1 4628/4885

“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.