SCHEMBL994187

SCHEMBL994187

O=C1COC[C@H]2CN(Cc3cc4nc(Cl)nc(N5CCOCC5)c4s3)CCN12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.48
CYP3A4 P08684 1/20 0.48
PIK3CA P42336 17/20 0.47
PIK3R1 P27986 3/20 0.47
PIK3CB P42338 11/20 0.43
PIK3CG P48736 11/20 0.43
MTOR P42345 2/20 0.41

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
SCHEMBL993989 0.88 PIK3CA (0.47) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL993984 0.88 PIK3CA (0.47) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL994513 0.84 PIK3CD (0.62) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL994514 0.84 PIK3CD (0.62) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL996649 0.84 PIK3CD (0.62) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL994336 0.84 PIK3CD (0.60) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2674465 0.81 PIK3CD (0.51) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL996260 0.81 PIK3CD (0.49) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL994174 0.81 PIK3CA (0.45) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB
SCHEMBL994522 0.80 PIK3CD (0.53) PIK3CDCYP3A4PIK3CAPIK3R1PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US 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
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885CYP3A4 401/4885PIK3CA 1/4885

“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.