SCHEMBL7002940

SCHEMBL7002940

CC(=O)N(C)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.49
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
PIK3C3 Q8NEB9 3/20 0.43
TSPO P30536 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PIK3CA P42336 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RIPK1 Q13546 1/20 0.39
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2096355 0.85 HTT (0.46) HTTMAPTCES2CES1PIK3C3
SCHEMBL2096358 0.85 HTT (0.46) HTTMAPTCES2CES1PIK3C3
SCHEMBL5317201 0.83 HTT (0.49) HTTMAPTCES2CES1PIK3C3
SCHEMBL16209298 0.81 FSCN1 (0.46) FSCN1MAPTTSPO
SCHEMBL2097665 0.80 MAPT (0.49) HTTMAPTCES2CES1PIK3C3
SCHEMBL3624334 0.79 FSCN1 (0.44) FSCN1MAPTTSPOALDH1A1
SCHEMBL2097663 0.79 MAPT (0.45) HTTMAPTCES2CES1PIK3C3
SCHEMBL6074176 0.79 MAPT (0.51) FSCN1HTTMAPTTSPOALDH1A1
SCHEMBL24534995 0.79 TSPO (0.47) FSCN1HTTMAPTTSPOKMT2A
SCHEMBL14048382 0.78 KEAP1 (0.46) FSCN1HTTMAPTTSPOALDH1A1

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
EP-2845592-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
EP-2711368-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
WO-2011036280-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 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 (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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL FSCN1 4796/4885HTT 4055/4885MAPT 4461/4885

“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.