SCHEMBL14948253

SCHEMBL14948253

Brc1ccc2c(c1)OCCc1scnc1-2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
MAOB P27338 2/20 0.37
ADRA2A P08913 1/20 0.35
PIK3CB P42338 9/20 0.35
PIK3CG P48736 9/20 0.35
PIK3CD O00329 7/20 0.35
PPARA Q07869 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
SCHEMBL1119025 0.79 NPY5R (0.47) PIK3CALMNAMAPTHTTPIK3CB
SCHEMBL1484851 0.78 PIK3CA (0.46) PIK3CALMNAMAPTHTTBLM
SCHEMBL1516855 0.76 MAPT (0.42) PIK3CALMNAMAPTHTTBLM
SCHEMBL1484798 0.75 KDM4E (0.48) PIK3CALMNAMAPTPIK3CBPIK3CG
SCHEMBL1484711 0.72 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484686 0.72 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484697 0.72 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL988703 0.72 PIK3CA (0.44) PIK3CAMAPTPIK3CBPIK3CGPIK3CD
SCHEMBL1484954 0.72 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1042611 0.72 PIK3CA (0.38) PIK3CAPIK3CBPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846762-B2 Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-09-30 US disclosed
US-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN - LA ROCHE AG (CH) 2013-05-16 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-20130123263-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, BMX, PIK3CD PIK3CA 1/4885LMNA 645/4885MAPT 1255/4885

“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.