SCHEMBL993184

SCHEMBL993184

CS(=O)(=O)N1CC2CN(Cc3cc4nc(-c5c(F)ccc6[nH]ccc56)nc(N5CCOCC5)c4s3)CC2C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.70
CYP3A4 P08684 4/20 0.70
PIK3CA P42336 12/20 0.70
PIK3CB P42338 11/20 0.70
PIK3R1 P27986 2/20 0.70
PIK3CG P48736 10/20 0.58
PIK3C2A O00443 1/20 0.54
PLK4 O00444 1/20 0.54
PIK3R2 O00459 1/20 0.54
PIK3C2B O00750 1/20 0.54
GAK O14976 1/20 0.54
EPHB6 O15197 1/20 0.54
DAPK3 O43293 1/20 0.54
STK16 O75716 1/20 0.54
PIK3C2G O75747 1/20 0.54
NTRK1 P04629 1/20 0.54
NQO2 P16083 1/20 0.54
CSNK2A2 P19784 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54

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
SCHEMBL17307723 0.92 PIK3CD (0.77) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL994373 0.89 PIK3CD (0.76) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL994451 0.89 PIK3CD (0.71) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL994644 0.88 PIK3CD (0.73) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL994970 0.88 PIK3CD (0.73) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL994904 0.88 PIK3CD (0.66) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL2469297 0.87 PIK3CD (0.75) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL2469300 0.87 PIK3CD (0.75) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL994508 0.86 PIK3CD (0.79) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1
SCHEMBL993186 0.86 PIK3CD (0.66) PIK3CDCYP3A4PIK3CAPIK3CBPIK3R1

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 9 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 claimed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US claimed
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-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

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.