SCHEMBL2960307

SCHEMBL2960307

CC(C)(C)OC(=O)Nc1ncc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.43
SYK P43405 1/20 0.42
LCK P06239 2/20 0.39
CYP17A1 P05093 1/20 0.37
NPC1 O15118 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RORC P51449 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATR Q13535 1/20 0.36
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPK1 P28482 1/20 0.35
EGLN2 Q96KS0 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
SCHEMBL5456915 0.85 SYK (0.46) AAK1SYKCYP17A1RORCATR
SCHEMBL15599330 0.84 SYK (0.42) SYKLCKCYP17A1HDAC6RORC
SCHEMBL17202399 0.84 AAK1 (0.43) AAK1SYKLCKCYP17A1NPC1
SCHEMBL29360815 0.84 AAK1 (0.43) AAK1SYKLCKCYP17A1NPC1
SCHEMBL1181471 0.84 AAK1 (0.51) AAK1LCKNPC1ALDH1A1RORC
SCHEMBL15660587 0.83 AAK1 (0.41) AAK1SYKLCKNPC1RORC
SCHEMBL17282546 0.83 SYK (0.42) SYKCYP17A1HDAC6RORCATR
SCHEMBL858165 0.83 AAK1 (0.42) AAK1LCKNPC1RORCRECQL
SCHEMBL23167942 0.82 HDAC6 (0.56) SYKHDAC6
SCHEMBL15599368 0.82 AAK1 (0.44) AAK1LCKNPC1ALDH1A1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132201-B1 NOVEL 2-HETEROARYL SUBSTITUTED BENZOTHIOPHENES AND BENZOFURANES ASTRAZENECA AB (SE) 2016-11-16 EP disclosed
EP-2132201-B1 NOVEL 2-HETEROARYL SUBSTITUTED BENZOTHIOPHENES AND BENZOFURANES ASTRAZENECA AB (SE) 2016-11-16 EP disclosed
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
EP-2132201-A1 NOVEL 2-HETEROARYL SUBSTITUTED BENZOTHIOPHENES AND BENZOFURANES 709 AstraZeneca AB (SE) 2009-12-16 EP disclosed
WO-2008108730-A1 NOVEL 2-HETEROARYL SUBSTITUTED BENZOTHIOPHENES AND BENZOFURANES 709 ASTRAZENECA AB (SE) 2008-09-12 WO disclosed
WO-2008108730-A1 NOVEL 2-HETEROARYL SUBSTITUTED BENZOTHIOPHENES AND BENZOFURANES 709 ASTRAZENECA AB (SE) 2008-09-12 WO disclosed
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients ASTRAZENECA AB (SE) 2008-09-11 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-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients PSEN1, APP, PSEN2 AAK1 2251/4885SYK 1060/4885LCK 3263/4885

“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.