Sugi Predict

Sugi Predict / Compounds / SCHEMBL741345

SCHEMBL741345

SCHEMBL741345

CN(CCO)S(=O)(=O)c1cc(Br)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SHMT2 P34897 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ RXFP1 Q9HBX9 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
SCHEMBL855488 0.84 HSD17B10 (0.48) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL732352 0.81 NPC1 (0.52) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL9953525 0.78 TSHR (0.50) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL27878220 0.74 PLA2G1B (0.50) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL15032637 0.73 LMNA (0.52) HSD17B10KDM4EKMT2AMEN1ALDH1A1
SCHEMBL11684702 0.72 ALDH1A1 (0.43) KDM4EKMT2AMEN1ALDH1A1RXFP1
SCHEMBL856420 0.72 NPC1 (0.45) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL13188873 0.72 ALDH1A1 (0.45) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL855484 0.72 NPC1 (0.54) HSD17B10KDM4ENPC1KMT2AMEN1
SCHEMBL9955673 0.72 KDM4E (0.46) KDM4ENPC1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 — — US 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-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 — — US disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 — — 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
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
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
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 HSD17B10 4492/4885KDM4E 3548/4885NPC1 3641/4885
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 1254/4885KDM4E 610/4885NPC1 1583/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A HSD17B10 4492/4885KDM4E 3548/4885NPC1 3641/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 711/4885KDM4E 361/4885NPC1 1273/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 1066/4885KDM4E 760/4885NPC1 1132/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HSD17B10 4327/4885KDM4E 3288/4885NPC1 3332/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HSD17B10 4327/4885KDM4E 3288/4885NPC1 3332/4885

“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.