SCHEMBL993989

SCHEMBL993989

O=C1OCC2CN(Cc3cc4nc(Cl)nc(N5CCOCC5)c4s3)CCN12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.47
PIK3R1 P27986 3/20 0.47
PIK3CD O00329 15/20 0.47
CYP3A4 P08684 1/20 0.47
PIK3CB P42338 12/20 0.43
PIK3CG P48736 12/20 0.43
MTOR P42345 2/20 0.42

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
SCHEMBL993984 1.00 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDCYP3A4PIK3CB
SCHEMBL994187 0.88 PIK3CD (0.48) PIK3CAPIK3R1PIK3CDCYP3A4PIK3CB
SCHEMBL994514 0.83 PIK3CD (0.62) PIK3CAPIK3R1PIK3CDCYP3A4PIK3CB
SCHEMBL994513 0.83 PIK3CD (0.62) PIK3CAPIK3R1PIK3CDCYP3A4PIK3CB
SCHEMBL996649 0.83 PIK3CD (0.62) PIK3CAPIK3R1PIK3CDCYP3A4PIK3CB
SCHEMBL2674465 0.81 PIK3CD (0.51) PIK3CAPIK3R1PIK3CDCYP3A4PIK3CB
SCHEMBL994336 0.81 PIK3CD (0.60) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL994557 0.80 PIK3CD (0.53) PIK3CAPIK3R1PIK3CDCYP3A4PIK3CB
SCHEMBL994522 0.80 PIK3CD (0.53) PIK3CAPIK3R1PIK3CDCYP3A4PIK3CB
SCHEMBL1088049 0.80 PIK3CA (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 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-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 16/4885PIK3CD 2/4885

“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.