Sugi Predict

Sugi Predict / Compounds / SCHEMBL858865

SCHEMBL858865

SCHEMBL858865

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)OC(C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.41
▸ ELANE P08246 8/20 0.39
▸ CDK1 P06493 2/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ SOS1 Q07889 1/20 0.36
▸ PDGFRA P16234 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ KRAS P01116 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ HTR6 P50406 1/20 0.33

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
SCHEMBL30681927 1.00 MAP2K4 (0.41) MAP2K4ELANECDK1CCNB2CCNB1
SCHEMBL1316854 0.91 PDGFRA (0.42) MAP2K4ELANECDK1CCNB2CCNB1
SCHEMBL30379864 0.89 MAP2K4 (0.40) MAP2K4ELANECDK1CCNB2CCNB1
SCHEMBL24150510 0.89 MAP2K4 (0.40) MAP2K4ELANECDK1CCNB2CCNB1
SCHEMBL30041736 0.85 AAK1 (0.40) ELANECDK1CCNB2CCNB1GSK3B
SCHEMBL23535738 0.85 AAK1 (0.40) ELANECDK1CCNB2CCNB1GSK3B
SCHEMBL29139296 0.83 MAP2K4 (0.43) MAP2K4ELANEGSK3B
SCHEMBL3516872 0.82 ELANE (0.43) MAP2K4ELANE
SCHEMBL26977231 0.81 MAP2K4 (0.34) MAP2K4
SCHEMBL931118 0.81 ELANE (0.43) MAP2K4ELANECDK1CCNB2CCNB1

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
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 — — WO disclosed
CN-115916771-A Multi-target antitumor compound and preparation method and application thereof 浙江华海药业股份有限公司 2023-04-04 — — CN disclosed
EP-2773641-B1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2017-09-27 — — EP disclosed
US-9481677-B2 Biaryl ether sulfonamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-01 — — US disclosed
US-9365578-B2 — — 2016-06-14 — — US disclosed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 — — US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 — — US disclosed
US-20140256736-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2014-09-11 — — 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-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 — — 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
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 — — EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 — — WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 — — 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
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 — — EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 — — US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 — — 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 (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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MAP2K4 1028/4885ELANE 4567/4885CDK1 237/4885
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 MAP2K4 88/4885ELANE 4449/4885CDK1 50/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 MAP2K4 88/4885ELANE 4449/4885CDK1 50/4885
US-20140256736-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS TRPV1, TRPV3, TRPV2 MAP2K4 3041/4885ELANE 514/4885CDK1 4253/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MAP2K4 1119/4885ELANE 4525/4885CDK1 278/4885

“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.