SCHEMBL6736048

SCHEMBL6736048

COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.66
MTOR P42345 5/20 0.66
PIK3R1 P27986 2/20 0.66
KDM4E B2RXH2 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TAAR1 Q96RJ0 1/20 0.54
PIK3CG P48736 3/20 0.54
PIK3CD O00329 2/20 0.52
PIK3CB P42338 1/20 0.52

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
SCHEMBL32347 0.84 PIK3CA (0.80) PIK3CAMTORPIK3CG
SCHEMBL3888946 0.84 PIK3CA (0.57) PIK3CAMTORPIK3R1KDM4ETDP1
SCHEMBL6740893 0.81 MAPT (0.86) PIK3CAKDM4ETDP1L3MBTL1MEN1
SCHEMBL6742541 0.81 MTOR (0.73) PIK3CAMTORPIK3R1TDP1L3MBTL1
SCHEMBL1309698 0.80 CYP1A2 (0.67) PIK3CAMTORPIK3R1KDM4EL3MBTL1
SCHEMBL1309097 0.80 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL1309374 0.79 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CG
SCHEMBL1312053 0.78 PIK3CA (0.57) PIK3CAMTORPIK3R1KDM4ETDP1
SCHEMBL11751124 0.78 TSHR (0.68) PIK3CAKDM4ETDP1L3MBTL1MEN1
SCHEMBL1309914 0.77 PIK3CA (0.65) PIK3CAMTORPIK3R1MAPTPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 WO claimed
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 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-20040082627-A1 Certain aromatic monocycles as kinase modulators MAP3K20, MAP3K1, MAP3K19 PIK3CA 249/4885MTOR 141/4885PIK3R1 296/4885

“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.