SCHEMBL9954777

SCHEMBL9954777

COc1ncc(Br)cc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.56
PIK3R1 P27986 1/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
ALPL P05186 8/20 0.54
SHMT2 P34897 1/20 0.53
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.46
EDNRA P25101 1/20 0.46
CCR4 P51679 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL806771 0.88 SHMT2 (0.55) ALPLSHMT2KMT2AMEN1NPC1
SCHEMBL806765 0.87 LMNA (0.53) ALPLSHMT2KMT2AMEN1NPC1
SCHEMBL9953524 0.87 SHMT2 (0.54) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL806782 0.86 SMN1; SMN2 (0.54) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15211892 0.84 ALPL (0.72) ALPL
SCHEMBL16926620 0.83 PIK3C3 (0.61) ALPLSHMT2KMT2AMAPT
SCHEMBL9953447 0.83 SHMT2 (0.49) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL806788 0.82 POLB (0.53) PIK3CDPIK3CAPIK3CBPIK3CGALPL
SCHEMBL19211730 0.81 SHMT2 (0.51) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL14247235 0.81 PIK3CG (0.53) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 US disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 US disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 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-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3CD 628/4885PIK3R1 79/4885PIK3CA 1261/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B PIK3CD 628/4885PIK3R1 79/4885PIK3CA 1261/4885
US-20150225422-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3CD 628/4885PIK3R1 79/4885PIK3CA 1261/4885
US-20170073326-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3CD 628/4885PIK3R1 79/4885PIK3CA 1261/4885

“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.