Sugi Predict

Sugi Predict / Compounds / SCHEMBL742729

SCHEMBL742729

SCHEMBL742729

Nc1ncc(Br)cc1S(=O)(=O)NCCO

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ MEN1 O00255 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ MAPT P10636 3/20 0.56
▸ GAA P10253 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ LMNA P02545 2/20 0.54
▸ GFER P55789 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ PLA2G1B P04054 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51

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
SCHEMBL741550 0.92 KMT2A (0.54) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL742668 0.87 NPC1 (0.55) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL856830 0.85 PLA2G1B (0.56) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL858973 0.83 MEN1 (0.57) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL859102 0.83 NPC1 (0.54) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL18175532 0.83 GAA (0.55) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL14023880 0.82 FEN1 (0.42) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL16926889 0.82 ALPL (0.47) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL858850 0.82 NPC1 (0.59) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL741371 0.82 GAA (0.54) ALDH1A1HSD17B10MEN1KMT2AMAPT

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 24 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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 — — US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 — — US disclosed
US-8633187-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 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-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 — — US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 — — US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 — — US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 — — US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 — — WO disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 — — US disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 — — US disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 — — 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 (6 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 ALDH1A1 2764/4885HSD17B10 4492/4885MEN1 1896/4885
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ALDH1A1 3395/4885HSD17B10 1254/4885MEN1 3183/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A ALDH1A1 2764/4885HSD17B10 4492/4885MEN1 1896/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA ALDH1A1 3049/4885HSD17B10 1066/4885MEN1 3264/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB ALDH1A1 2441/4885HSD17B10 4327/4885MEN1 2522/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB ALDH1A1 2441/4885HSD17B10 4327/4885MEN1 2522/4885

“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.