SCHEMBL6847807

SCHEMBL6847807

O=C(c1ccncc1Nc1ccc(Br)cc1F)N1CC(O)([C@@H]2CCCCN2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K2 P36507 5/20 0.57
▸ MAP2K1 Q02750 5/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ BRAF P15056 1/20 0.57
▸ DRD1 P21728 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ ACTR3 P61158 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ PRKCZ Q05513 1/20 0.35
▸ IARS2 Q9NSE4 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PDE10A Q9Y233 6/20 0.34
▸ LMNA P02545 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
SCHEMBL3835336 0.90 MAP2K1 (0.71) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL29413538 0.90 MAP2K1 (0.71) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL1488382 0.90 MAP2K1 (0.71) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL21010530 0.90 MAP2K2 (0.57) MAP2K2MAP2K1CHRM2CHRM1BRAF
Acetic Acid SCHEMBL4579329 0.87 MAP2K1 (0.67) MAP2K2MAP2K1CHRM2CHRM1BRAF
Acetic Acid SCHEMBL1488757 0.87 MAP2K1 (0.67) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL20971334 0.86 MAP2K1 (0.61) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL1488594 0.86 MAP2K1 (0.62) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL30221073 0.86 MAP2K1 (0.62) MAP2K2MAP2K1CHRM2CHRM1BRAF
SCHEMBL1489096 0.83 MAP2K1 (0.81) MAP2K2MAP2K1CHRM2CHRM1BRAF

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 24 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
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
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
US-7915250-B2 Azetidines as MEK inhibitors for the treatment of proliferative diseases EXELIXIS, INC. (US) 2011-03-29 — — US 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-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-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-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
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 (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 MAP2K2 49/4885MAP2K1 51/4885CHRM2 4789/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 MAP2K2 49/4885MAP2K1 52/4885CHRM2 4755/4885
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 MAP2K2 49/4885MAP2K1 51/4885CHRM2 4789/4885
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS MAP2K2 89/4885MAP2K1 84/4885CHRM2 4074/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS MAP2K2 66/4885MAP2K1 62/4885CHRM2 4555/4885
US-20110263558-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS MAP2K2 65/4885MAP2K1 72/4885CHRM2 4344/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS MAP2K2 43/4885MAP2K1 42/4885CHRM2 4862/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 MAP2K2 49/4885MAP2K1 52/4885CHRM2 4755/4885
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS MAP2K2 65/4885MAP2K1 72/4885CHRM2 4344/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 MAP2K2 49/4885MAP2K1 52/4885CHRM2 4755/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 MAP2K2 49/4885MAP2K1 52/4885CHRM2 4755/4885

“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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