SCHEMBL1687253

SCHEMBL1687253

O=C(NO)c1ccn(S(=O)(=O)C2Cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3S2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC8 Q9BY41 1/20 0.47
PIK3CB P42338 10/20 0.47
PIK3CD O00329 10/20 0.47
PIK3CG P48736 9/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
MTOR P42345 2/20 0.46
PIK3R1 P27986 2/20 0.45
PIK3C2A O00443 1/20 0.45
PLK4 O00444 1/20 0.45
PIK3R2 O00459 1/20 0.45
PIK3C2B O00750 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
DAPK3 O43293 1/20 0.45
STK16 O75716 1/20 0.45
PIK3C2G O75747 1/20 0.45
NTRK1 P04629 1/20 0.45

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
SCHEMBL13178246 0.82 PIK3CA (0.51) PIK3CAHDAC6HDAC8PIK3CBPIK3CD
SCHEMBL13178194 0.81 PIK3CA (0.49) PIK3CAHDAC6HDAC8PIK3CBPIK3CD
SCHEMBL12995025 0.81 PIK3CA (0.54) PIK3CAPIK3CBPIK3CDPIK3CGABCC4
SCHEMBL12994736 0.80 PIK3CA (0.53) PIK3CAPIK3CBPIK3CDPIK3CGABCC4
SCHEMBL1622034 0.79 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGABCC4
SCHEMBL12994702 0.79 PIK3CA (0.51) PIK3CAPIK3CBPIK3CDPIK3CGABCC4
SCHEMBL12313618 0.79 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL13178303 0.78 PIK3CA (0.49) PIK3CAHDAC6HDAC8PIK3CBPIK3CD
SCHEMBL12994731 0.78 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994793 0.78 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 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-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885HDAC6 123/4885HDAC8 28/4885

“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.