Sugi Predict

Sugi Predict / Compounds / SCHEMBL732236

SCHEMBL732236

SCHEMBL732236

Brc1ccc2nccc(-c3ccnnc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 7/20 0.43
▸ SLC22A12 Q96S37 5/20 0.41
▸ NCF1 P14598 1/20 0.40
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ PIP4K2C Q8TBX8 2/20 0.39
▸ IRAK3 Q9Y616 2/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ RICTOR Q6R327 1/20 0.39
▸ RPTOR Q8N122 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ MAPKAP1 Q9BPZ7 1/20 0.39
▸ MLST8 Q9BVC4 1/20 0.39
▸ AKT1 P31749 3/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38

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
SCHEMBL731933 0.82 PIK3CA (0.62) PIK3CASLC22A12NCF1PIK3CDPIK3CB
SCHEMBL28140817 0.79 ALK (0.49) PIK3CASLC22A12NCF1HTTLMNA
SCHEMBL12277881 0.79 PIK3CA (0.62) PIK3CASLC22A12NCF1CCNCCDK8
SCHEMBL30440259 0.79 PIK3CA (0.62) PIK3CASLC22A12NCF1CCNCCDK8
SCHEMBL731471 0.77 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL21964214 0.77 PIK3CA (0.43) PIK3CASLC22A12NCF1AKT1CCNC
SCHEMBL17833787 0.76 PIK3CA (0.48) PIK3CASLC22A12NCF1HTTGAK
SCHEMBL730133 0.76 MAP3K14 (0.56) PIK3CASLC22A12NCF1AKT1PIM1
SCHEMBL3849357 0.76 RPS6KA3 (0.44) PIK3CASLC22A12PIK3CDPIK3CBPIK3CG
SCHEMBL28108574 0.73 STING1 (0.39) HTTSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596793-B1 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-07-08 — — EP disclosed
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 — — US disclosed
US-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 — — US disclosed
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 — — US disclosed
US-8633187-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
US-20130317037-A1 METHOD OF ADMINISTRATION AND TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-28 — — US disclosed
CN-101754759-B Quinoline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORP 2013-10-09 — — CN disclosed
EP-2640468-A1 METHOD OF ADMINISTRATION AND TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-25 — — EP disclosed
EP-2596793-A1 Quinoline derivatives as PI3 kinase inhibitors Glaxosmithkline LLC (US) 2013-05-29 — — EP disclosed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 — — US disclosed
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2012-06-28 — — US disclosed
WO-2012068231-A1 METHOD OF ADMINISTRATION AND TREATMENT GLAXOSMITHKLINE LLC (US) 2012-05-24 — — WO disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 — — US disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US disclosed
CN-101754759-A Quinoline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORP 2010-06-23 — — CN disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 — — US disclosed
EP-2192902-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-06-09 — — EP disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
WO-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — WO disclosed
WO-2008144464-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — 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 (7 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-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A PIK3CA 13/4885SLC22A12 3836/4885NCF1 1248/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885SLC22A12 3927/4885NCF1 1224/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A PIK3CA 13/4885SLC22A12 3836/4885NCF1 1248/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885SLC22A12 3927/4885NCF1 1224/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885SLC22A12 3927/4885NCF1 1224/4885
US-20130317037-A1 METHOD OF ADMINISTRATION AND TREATMENT PIK3CA, PIK3C2A, PIK3C2B PIK3CA 1/4885SLC22A12 1083/4885NCF1 3807/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885SLC22A12 3927/4885NCF1 1224/4885

“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.