SCHEMBL996101

SCHEMBL996101

N#Cc1cc(-c2nc(N3CCOCC3)c3cc(CN4CCN(C5CC5)CC4)sc3n2)c2cc[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.58
CYP3A4 P08684 3/20 0.58
PIK3CA P42336 13/20 0.47
PIK3CB P42338 13/20 0.47
ATR Q13535 2/20 0.45
PIK3CG P48736 7/20 0.45
ATRIP Q8WXE1 1/20 0.43
PIK3R1 P27986 1/20 0.43

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
SCHEMBL2467609 0.90 PIK3CD (0.59) PIK3CDCYP3A4PIK3CAPIK3CBATR
SCHEMBL995825 0.89 PIK3CD (0.73) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL995077 0.88 PIK3CD (0.56) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL3617738 0.88 PIK3CD (0.60) PIK3CDCYP3A4PIK3CAPIK3CBATR
SCHEMBL994937 0.86 PIK3CD (0.49) PIK3CDCYP3A4PIK3CAPIK3CBATR
SCHEMBL4546679 0.86 PIK3CD (0.56) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL993183 0.86 PIK3CD (0.52) PIK3CDCYP3A4PIK3CAPIK3CBATR
SCHEMBL993405 0.85 PIK3CA (0.54) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL993366 0.83 PIK3CA (0.51) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL993219 0.81 PIK3CD (0.67) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG

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 12 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
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO 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.