SCHEMBL13137292

SCHEMBL13137292

CCc1nc(N2CCOCC2)c2sc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.55
PIK3CA P42336 7/20 0.51
PIK3R1 P27986 1/20 0.51
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47
CYP3A4 P08684 2/20 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
SCHEMBL466290 0.89 PIK3CD (0.52) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL3623403 0.87 PIK3CD (0.51) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1182129 0.82 PIK3CA (0.69) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL963220 0.82 PIK3CA (0.73) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1497337 0.81 RECQL (0.48) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL994553 0.80 PIK3CD (0.48) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL993496 0.80 PIK3CD (0.46) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL994312 0.79 PIK3CD (0.47) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1089183 0.78 PIK3CD (0.77) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL390171 0.78 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4

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 3 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
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 PIK3CD 39/4885PIK3CA 58/4885PIK3R1 106/4885

“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.