SCHEMBL1687247

SCHEMBL1687247

CCOOCc1cnc(N2CCC(CNC(=O)c3cc4nc(C)nc(N5CCOCC5)c4s3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.45
PIK3R1 P27986 8/20 0.45
SIRT2 Q8IXJ6 4/20 0.41
SIRT1 Q96EB6 3/20 0.41
SIRT3 Q9NTG7 3/20 0.41
PIK3CD O00329 6/20 0.41
PIK3CB P42338 6/20 0.41
PIK3CG P48736 6/20 0.41
MTOR P42345 3/20 0.41
AKT1 P31749 1/20 0.41
PIKFYVE Q9Y2I7 1/20 0.37

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
SCHEMBL1687304 0.92 PIK3CA (0.45) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL1623280 0.91 PIK3CA (0.49) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL14886173 0.88 PIK3CA (0.47) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL1687121 0.86 PIK3CA (0.49) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL7711390 0.84 PIK3CA (0.39) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1623257 0.83 PIK3CA (0.49) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL1284297 0.81 PIK3CA (0.45) PIK3CAPIK3R1SIRT2SIRT1SIRT3
SCHEMBL1285079 0.78 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1283941 0.76 HDAC1 (0.53) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL7711385 0.76 PIK3CA (0.39) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 US disclosed
WO-2011130628-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. (US) 2011-10-20 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-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB PIK3CA 57/4885PIK3R1 106/4885SIRT2 1194/4885

“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.