SCHEMBL3095677

SCHEMBL3095677

Cc1ncc(Br)cc1NS(=O)(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.51
PIK3CA P42336 4/20 0.43
BRD4 O60885 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP17A1 P05093 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CKS1B P61024 3/20 0.36
SKP2 Q13309 3/20 0.36
ABL1 P00519 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL855688 0.82 PIK3C3 (0.46) PIK3C3PIK3CAPTGS1PTGS2NPC1
SCHEMBL3116683 0.82 PIK3CA (0.43) PIK3C3PIK3CATDP1PTGS1PTGS2
SCHEMBL1772559 0.82 TDP1 (0.40) PIK3C3PIK3CABRD4TDP1PTGS1
SCHEMBL18633870 0.82 NPC1 (0.42) PIK3C3PIK3CATDP1PTGS1PTGS2
SCHEMBL742825 0.81 PIK3CA (0.54) PIK3CACYP17A1MEN1KMT2A
SCHEMBL3120337 0.79 MRGPRX1 (0.45) PIK3CATDP1PTGS1PTGS2
SCHEMBL18160750 0.78 BRD4 (0.51) PIK3C3PIK3CABRD4CYP17A1
SCHEMBL16926830 0.76 PIK3C3 (0.48) PIK3C3PIK3CANPC1ALDH1A1ABL1
SCHEMBL26590391 0.76 EGFR (0.44) PIK3CABRD4
SCHEMBL1621860 0.75 BRD4 (0.41) PIK3CABRD4TDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
CN-105916503-B Heteroaryl compounds and uses thereof 米伦纽姆医药公司 2020-04-14 CN disclosed
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-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
EP-2167092-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US 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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PIK3C3 28/4885PIK3CA 8/4885BRD4 1858/4885
US-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3C3 1186/4885PIK3CA 1261/4885BRD4 187/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B PIK3C3 1186/4885PIK3CA 1261/4885BRD4 187/4885
US-20170073326-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B PIK3C3 1186/4885PIK3CA 1261/4885BRD4 187/4885
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 PIK3C3 27/4885PIK3CA 18/4885BRD4 1997/4885

“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.