SCHEMBL1487914

SCHEMBL1487914

[CH2]NCCCNC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
CA1 P00915 9/20 0.51
CA2 P00918 9/20 0.51
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
EPHX1 P07099 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
MAN2B1 O00754 1/20 0.40

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
SCHEMBL569251 0.90 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL6245478 0.88 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.86 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1629516 0.85 TDP1 (0.62) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3910909 0.84 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL1557057 0.84 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL137629 0.84 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5162656 0.84 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL134329 0.84 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3025184 0.84 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. 2020-01-30 US disclosed
CN-110668988-A Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2020-01-10 CN disclosed
CN-104892582-B Azetidine as the mek inhibitor for treating proliferative disease 埃克塞利希斯股份有限公司 2019-09-27 CN disclosed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
CN-109053523-A Azetidine as the mek inhibitor for treating proliferative disease 埃克塞利希斯股份有限公司 2018-12-21 CN disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
US-20110263558-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases EXELIXIS, INC. (US) 2011-10-27 US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed
EP-1934174-B1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS INC (US) 2011-04-06 EP disclosed
US-7915250-B2 Azetidines as MEK inhibitors for the treatment of proliferative diseases EXELIXIS, INC. (US) 2011-03-29 US disclosed
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine EXELIXIS, INC. (US) 2010-09-30 US disclosed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS INC. (US) 2009-06-18 US disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 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 (8 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-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 TDP1 1707/4885MEN1 565/4885GAA 1407/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS TDP1 1106/4885MEN1 872/4885GAA 2446/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS TDP1 1038/4885MEN1 1722/4885GAA 1845/4885
US-20110263558-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS TDP1 2504/4885MEN1 164/4885GAA 607/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS TDP1 2192/4885MEN1 425/4885GAA 2414/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 TDP1 1707/4885MEN1 565/4885GAA 1407/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 TDP1 1707/4885MEN1 565/4885GAA 1407/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 TDP1 1707/4885MEN1 565/4885GAA 1407/4885

“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.