SCHEMBL1487927

SCHEMBL1487927

[CH2]Nc1ccc(O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 1/20 0.41
▸ GRM4 Q14833 1/20 0.39
▸ ESR1 P03372 7/20 0.38
▸ ESR2 Q92731 7/20 0.38
▸ HSD17B1 P14061 4/20 0.38
▸ HSD17B2 P37059 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SHBG P04278 1/20 0.35
▸ CA3 P07451 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ SNCA P37840 2/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP17A1 P05093 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
SCHEMBL1777858 0.78 RAPGEF4 (0.45) KDM4EHSD17B10
SCHEMBL1487928 0.77 TNIK (0.41) TNIKGRM4ESR1ESR2HSD17B1
SCHEMBL12252046 0.77 TNIK (0.41) TNIKGRM4ESR1ESR2HSD17B1
SCHEMBL5514335 0.74 GRM4 (0.40) TNIKGRM4ESR1ESR2HSD17B1
SCHEMBL10895040 0.73 TSHR (0.50) GRM4ESR1ESR2HSD17B2LMNA
SCHEMBL13704093 0.72 KDM5A (0.41) TNIKGRM4ESR1ESR2HSD17B1
SCHEMBL14453838 0.72 IDO1 (0.43) TNIKGRM4ESR1ESR2HSD17B1
SCHEMBL1962890 0.72 NPC1 (0.47) KDM4ELMNAHSD17B10SNCAS1PR1
SCHEMBL24969561 0.71 TGM2 (0.61) LMNA
SCHEMBL30152202 0.71 TGM2 (0.61) LMNA

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 26 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
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-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
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
CN-101365676-A Azetidines as mek inhibitors for the treatment of proliferative diseases EXELIXIS INC (US) 2009-02-11 — — CN 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
EP-1934174-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2008-06-25 — — EP disclosed
WO-2007044515-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2007-04-19 — — 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 (9 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 TNIK 500/4885GRM4 4791/4885ESR1 2731/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 TNIK 530/4885GRM4 4760/4885ESR1 2785/4885
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 TNIK 500/4885GRM4 4791/4885ESR1 2731/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS TNIK 807/4885GRM4 4858/4885ESR1 1597/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS TNIK 893/4885GRM4 4868/4885ESR1 2045/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS TNIK 465/4885GRM4 4675/4885ESR1 3317/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 TNIK 530/4885GRM4 4760/4885ESR1 2785/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 TNIK 530/4885GRM4 4760/4885ESR1 2785/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 TNIK 530/4885GRM4 4760/4885ESR1 2785/4885

“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.

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