SCHEMBL1087362

SCHEMBL1087362

COCCN(C)CC1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.49
PIK3CD O00329 18/20 0.48
PIK3CB P42338 6/20 0.48
PIK3CG P48736 6/20 0.48
PIK3R1 P27986 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL1087194 0.88 PIK3CD (0.49) PIK3CAPIK3CDPIK3CBPIK3CGCYP3A4
SCHEMBL392985 0.88 PIK3CD (0.53) PIK3CAPIK3CDPIK3CBPIK3CGCYP3A4
SCHEMBL1088653 0.88 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1089137 0.88 PIK3CD (0.54) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1088340 0.86 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1088511 0.85 PIK3CD (0.52) PIK3CAPIK3CDPIK3CBPIK3CGCYP3A4
SCHEMBL1088840 0.84 PIK3CD (0.49) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL4437463 0.84 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1088023 0.83 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1088206 0.83 PIK3CD (0.54) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1

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-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-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-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 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-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 PIK3CA 1/4885PIK3CD 12/4885PIK3CB 14/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3CD 12/4885PIK3CB 14/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3CD 12/4885PIK3CB 14/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3CD 12/4885PIK3CB 14/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3CD 12/4885PIK3CB 14/4885

“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.