SCHEMBL13178246

SCHEMBL13178246

O=C(NO)c1cnc(NC2Cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3S2)nc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.51
HDAC6 Q9UBN7 2/20 0.51
PIK3CB P42338 8/20 0.50
PIK3CD O00329 8/20 0.49
PIK3CG P48736 8/20 0.49
HDAC8 Q9BY41 1/20 0.48
MTOR P42345 1/20 0.47

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
SCHEMBL13178194 0.87 PIK3CA (0.49) PIK3CAHDAC6PIK3CBPIK3CDPIK3CG
SCHEMBL13178303 0.84 PIK3CA (0.49) PIK3CAHDAC6PIK3CBPIK3CDPIK3CG
SCHEMBL12994698 0.83 PIK3CA (0.54) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994792 0.83 PIK3CA (0.52) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1687253 0.82 PIK3CA (0.49) PIK3CAHDAC6PIK3CBPIK3CDPIK3CG
SCHEMBL12313618 0.81 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994731 0.81 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994793 0.80 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12994625 0.79 PIK3CA (0.59) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL12995035 0.79 PIK3CA (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367663-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety CURIS, INC. (US) 2013-02-05 US disclosed
US-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2010-09-02 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-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 58/4885HDAC6 124/4885PIK3CB 23/4885

“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.