SCHEMBL3356524

SCHEMBL3356524

COc1ccc(Cn2cc(-c3cccc(Br)n3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
ADORA1 P30542 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MET P08581 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PTGS2 P35354 1/20 0.39
KDR P35968 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CDC7 O00311 1/20 0.38
KLKB1 P03952 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
SCHEMBL21552996 0.76 ADORA2B (0.48) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL2533388 0.76 GRM4 (0.37) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL25561729 0.76 KMT2A (0.59) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL370452 0.76 LTA4H (0.61) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL2025694 0.75 ADORA2A (0.43) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL17144746 0.75 NPC1 (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL30584739 0.75 NPC1 (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL1051534 0.75 ADORA2A (0.44) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL17801147 0.74 JAK2 (0.43) ADORA2AADORA2BADORA1L3MBTL1
SCHEMBL28941665 0.74 L3MBTL1 (0.66) ADORA2AADORA2BADORA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
CN-101874029-A Pyrazole derivatives as metabotropic glutamate receptor modulators ADDEX PHARMACEUTICALS SA 2010-10-27 CN disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2181110-A2 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2010-05-05 EP disclosed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 WO 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 (2 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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 ADORA2A 175/4885ADORA2B 178/4885ADORA1 132/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 ADORA2A 151/4885ADORA2B 165/4885ADORA1 117/4885

“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.