SCHEMBL1551287

SCHEMBL1551287

N#Cc1c(N2CCOCC2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.74
MTOR P42345 4/20 0.59
PIK3R1 P27986 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
PIK3CD O00329 4/20 0.41
PIK3CB P42338 4/20 0.41
AR P10275 1/20 0.40
MAP2 P11137 1/20 0.40
CRHR1 P34998 1/20 0.40
HTT P42858 1/20 0.40
PIK3CG P48736 2/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39

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
SCHEMBL1551282 0.91 PIK3CA (0.74) PIK3CAMTORPIK3R1NPC1RAB9A
SCHEMBL13597857 0.90 PIK3CA (0.66) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1550849 0.90 PIK3CA (0.60) PIK3CAMTORPIK3R1NPC1RAB9A
SCHEMBL17244488 0.89 PIK3CA (0.59) PIK3CAMTORPIK3R1NPC1RAB9A
SCHEMBL3399984 0.89 PIK3CA (0.59) PIK3CAMTORPIK3R1NPC1RAB9A
SCHEMBL8005706 0.88 PIK3CA (0.58) PIK3CAMTORPIK3R1NPC1RAB9A
SCHEMBL8011926 0.88 PIK3CA (0.70) PIK3CAMTORPIK3R1HPGDPIK3CD
SCHEMBL1552002 0.87 PIK3CA (0.57) PIK3CAMTORPIK3R1NPC1RAB9A
SCHEMBL1551306 0.87 PIK3CA (0.57) PIK3CAMTORPIK3R1NPC1RAB9A
SCHEMBL13574303 0.87 PIK3CA (0.57) PIK3CAMTORPIK3R1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
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-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
EP-2313399-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-04-27 EP disclosed
EP-2250160-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2010-11-17 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
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 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 (4 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-20090325925-A1 Thiophenes and uses thereof PIK3CA, JAK2, MTOR PIK3CA 1/4885MTOR 3/4885PIK3R1 4/4885
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.