SCHEMBL1552029

SCHEMBL1552029

CC1CNC(c2sc(N3CCOCC3)c(C#N)c2-c2ccc(Cl)cc2Cl)=N1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.64
MTOR P42345 5/20 0.64
PIK3R1 P27986 8/20 0.44
PIK3CD O00329 3/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 3/20 0.44
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AR P10275 1/20 0.38
CRHR1 P34998 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL6726885 0.84 PIK3CA (0.47) PIK3CAMTORPIK3R1NPC1RAB9A
SCHEMBL3148532 0.83 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL15744120 0.81 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6751689 0.80 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1551691 0.80 PIK3CA (0.76) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6752237 0.80 PIK3CA (0.70) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552149 0.79 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552152 0.79 PIK3CA (0.69) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552141 0.78 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1552162 0.78 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313399-B1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARM INC (US) 2014-05-28 EP disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-8440664-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-8440664-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120202812-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20120202812-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-8183240-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183240-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
EP-2313399-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-04-27 EP disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 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 (3 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-20100075951-A1 Heteroaryls and uses thereof PIK3R3, AKT1S1, PIK3R1 PIK3CA 11/4885MTOR 148/4885PIK3R1 3/4885
US-20130217689-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 PIK3CA 11/4885MTOR 148/4885PIK3R1 3/4885
US-20120202812-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 PIK3CA 11/4885MTOR 148/4885PIK3R1 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.