SCHEMBL1487952

SCHEMBL1487952

[CH2]N[C@H]1[C@@H]2C[C@H]3C[C@H](C2)C[C@@H]1C3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HSD11B1 P28845 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
NPC1 O15118 1/20 0.34
EPHX1 P07099 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2297553 1.00 EPHX2 (0.46) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL11148891 0.73 EPHX2 (0.50) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL1072726 0.73 EPHX2 (0.50) EPHX2CA1CA2HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL11156725 0.71 EPHX2 (0.48) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL387316 0.69 CYP2C9 (0.44) EPHX2CA1CA2CYP2C9HSD11B1
SCHEMBL15892084 0.69 EPHX2 (0.41) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL630318 0.69 SMN1; SMN2 (0.42) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL1502375 0.69 CA1 (0.48) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL12408108 0.69 EPHX2 (0.46) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL7672245 0.69 EPHX2 (0.52) EPHX2CA1CA2HSD17B10L3MBTL1

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 17 patents. 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
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
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
US-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 US disclosed
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use EXELIXIS INC (US) 2015-05-21 US disclosed
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases EXELIXIS, INC. (US) 2014-09-18 US disclosed
US-8362002-B2 Azetidines as MEK inhibitors for the treatment of proliferative diseases EXELIXIS, INC. (US) 2013-01-29 US 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
US-7803839-B2 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS, INC. (US) 2010-09-28 US 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
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 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 (11 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-20170166523-A9 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 EPHX2 892/4885CA1 4091/4885CA2 3171/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 EPHX2 833/4885CA1 4114/4885CA2 3134/4885
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 EPHX2 892/4885CA1 4091/4885CA2 3171/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS EPHX2 2257/4885CA1 3987/4885CA2 2760/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS EPHX2 1664/4885CA1 3827/4885CA2 2467/4885
US-20110263558-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS EPHX2 1337/4885CA1 4857/4885CA2 4240/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS EPHX2 908/4885CA1 1855/4885CA2 735/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 EPHX2 833/4885CA1 4114/4885CA2 3134/4885
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS EPHX2 1337/4885CA1 4857/4885CA2 4240/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 EPHX2 833/4885CA1 4114/4885CA2 3134/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 EPHX2 833/4885CA1 4114/4885CA2 3134/4885

“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.