SCHEMBL6748729

SCHEMBL6748729

N#Cc1c(N2CCCOCC2)sc(-c2nnc[nH]2)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.68
MTOR P42345 5/20 0.68
PIK3R1 P27986 9/20 0.47
PIK3CD O00329 3/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
AR P10275 1/20 0.38
CRHR1 P34998 1/20 0.36

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
SCHEMBL1552141 0.97 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL11917971 0.88 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6749951 0.88 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6748544 0.88 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6752131 0.88 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL10124789 0.88 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6752256 0.87 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6750929 0.86 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6750904 0.86 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL6726829 0.85 PIK3CA (0.51) 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 8 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
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-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-8183240-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-22 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.