SCHEMBL1088548

SCHEMBL1088548

C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.48
PIK3CA P42336 10/20 0.44
PIK3R1 P27986 6/20 0.44
MTOR P42345 3/20 0.44
CYP3A4 P08684 2/20 0.41
PIK3CB P42338 3/20 0.40
PIK3CG P48736 3/20 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
SCHEMBL994553 0.89 PIK3CD (0.48) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL466290 0.88 PIK3CD (0.52) PIK3CDPIK3CAPIK3R1MTORCYP3A4
SCHEMBL1497337 0.83 RECQL (0.48) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL994547 0.83 PIK3CD (0.46) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL994312 0.83 PIK3CD (0.47) PIK3CDPIK3CAPIK3R1CYP3A4PIK3CB
SCHEMBL994555 0.83 PIK3CD (0.46) PIK3CDPIK3CAPIK3R1MTORPIK3CB
SCHEMBL1100462 0.82 PIK3CA (0.50) PIK3CDPIK3CAPIK3R1MTORPIK3CB
SCHEMBL190039 0.82 PIK3CD (0.43) PIK3CDPIK3CAPIK3R1MTORPIK3CB
SCHEMBL993496 0.82 PIK3CD (0.46) PIK3CDPIK3CAPIK3R1CYP3A4PIK3CB
SCHEMBL1181701 0.81 PIK3CA (0.44) PIK3CDPIK3CAPIK3R1MTORPIK3CB

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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 (5 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3R1 3/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3R1 3/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3R1 3/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3R1 3/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CD 12/4885PIK3CA 1/4885PIK3R1 3/4885

“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.