SCHEMBL1856689

SCHEMBL1856689

Fc1cc(-c2nc(N3CCOCC3)c3sc(CN4CC5(CCNCC5)C4)nc3n2)c2cc[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.51
CYP3A4 P08684 4/20 0.51
ATR Q13535 2/20 0.45
PIK3CA P42336 10/20 0.41
PIK3CB P42338 7/20 0.41
PIK3CG P48736 6/20 0.41
PIK3R1 P27986 4/20 0.40
MTOR P42345 4/20 0.40
PRKDC P78527 4/20 0.40

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
Formic Acid SCHEMBL1194381 0.96 PIK3CD (0.51) PIK3CDCYP3A4ATRPIK3CAPIK3CB
SCHEMBL1195243 0.88 PIK3CD (0.50) PIK3CDCYP3A4ATRPIK3CAPIK3CB
SCHEMBL995967 0.87 PIK3CD (0.66) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL1194108 0.85 PIK3CD (0.52) PIK3CDCYP3A4ATRPIK3CAPIK3CB
SCHEMBL13983587 0.83 PIK3CD (0.49) PIK3CDCYP3A4ATRPIK3CAPIK3CB
SCHEMBL1194110 0.82 PIK3CD (0.49) PIK3CDCYP3A4ATRPIK3CAPIK3CB
SCHEMBL994376 0.80 PIK3CD (0.63) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL994223 0.79 PIK3CD (0.66) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2464953 0.77 PIK3CD (0.73) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL994511 0.76 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158207-B1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE HOFFMANN LA ROCHE (CH) 2011-05-25 EP claimed
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
EP-2158207-B1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE HOFFMANN LA ROCHE (CH) 2011-05-25 EP disclosed
US-20110098270-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE HANCOX TIMOTHY COLIN 2011-04-28 US disclosed
US-20110098270-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE HANCOX TIMOTHY COLIN 2011-04-28 US disclosed
US-7893060-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase F. HOFFMANN-LA ROCHE AG (GB) 2011-02-22 US disclosed
US-7893060-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase F. HOFFMANN-LA ROCHE AG (GB) 2011-02-22 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 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 (2 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-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PDPK1, PIK3CA, PI4KA PIK3CD 4/4885CYP3A4 989/4885ATR 322/4885
US-20110098270-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885CYP3A4 1069/4885ATR 927/4885

“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.