SCHEMBL1064254

SCHEMBL1064254

Nc1cc(-c2cnccn2)c2occc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
PIK3CG P48736 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ALOX5AP P20292 3/20 0.35
FEN1 P39748 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
PKM P14618 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
ADORA1 P30542 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33
PTK2 Q05397 1/20 0.33
ASIC3 Q9UHC3 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
SCHEMBL1063264 0.83 ASIC3 (0.46) ADORA2ANPC1RAB9APKMADORA1
SCHEMBL1064341 0.78 MAPT (0.39) NPC1RAB9APKMKDM4EMEN1
SCHEMBL1062470 0.78 TDO2 (0.46) ADORA2ANPC1RAB9AHSP90AA1HSP90AB1
SCHEMBL1062624 0.75 DYRK1A (0.44) ADORA2APIK3CAPIK3CBNPC1RAB9A
SCHEMBL1062365 0.74 ADORA2A (0.38) ADORA2APIK3CAADORA1DYRK1A
SCHEMBL1059268 0.72 MAP4K4 (0.45) ADORA2APIK3CDALOX5APFEN1DYRK1A
SCHEMBL20911220 0.68 HSP90AA1 (0.44) ADORA2APIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL30252597 0.68 HSP90AA1 (0.44) ADORA2APIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL7493962 0.68 ERN1 (0.42) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL5987514 0.67 MAPT (0.44) ADORA2ANPC1RAB9AHSP90AA1DYRK1A

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-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US disclosed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A ADORA2A 38/4885PIK3CG 2424/4885PIK3CD 2692/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A ADORA2A 108/4885PIK3CG 3928/4885PIK3CD 4021/4885

“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.