SCHEMBL188543

SCHEMBL188543

O=C(CC(O)CO)NC1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 20/20 0.67
MAP2K1 Q02750 20/20 0.67
BRAF P15056 2/20 0.57
MAPK1 P28482 1/20 0.57
MAP2K5 Q13163 1/20 0.57
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
ACTR3 P61158 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL30220932 1.00 MAP2K2 (0.67) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL18968144 0.89 MAP2K2 (0.52) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL30221081 0.87 MAP2K1 (0.71) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL1488446 0.87 MAP2K1 (0.71) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL1488136 0.87 MAP2K1 (0.71) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL1489029 0.85 MAP2K1 (0.69) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL20971494 0.85 MAP2K1 (0.69) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL30221015 0.85 MAP2K1 (0.69) MAP2K2MAP2K1BRAFCHRM2CHRM1
SCHEMBL4346597 0.85 MAP2K2 (0.57) MAP2K2MAP2K1BRAFMAPK1MAP2K5
SCHEMBL3112650 0.85 MAP2K1 (0.77) MAP2K2MAP2K1BRAFCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN claimed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US claimed
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. 2020-01-30 US claimed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed
US-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 US claimed
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use EXELIXIS INC (US) 2015-05-21 US claimed
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US claimed
US-8362002-B2 Azetidines as MEK inhibitors for the treatment of proliferative diseases EXELIXIS, INC. (US) 2013-01-29 US claimed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US claimed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP claimed
EP-1934174-B1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS INC (US) 2011-04-06 EP claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
US-20250100966-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS INC (US) 2025-03-27 US disclosed
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 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
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 (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 51/4885BRAF 1/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 MAP2K2 49/4885MAP2K1 52/4885BRAF 1/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAP2K2 51/4885MAP2K1 65/4885BRAF 4/4885
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 MAP2K2 49/4885MAP2K1 51/4885BRAF 1/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAP2K2 51/4885MAP2K1 65/4885BRAF 4/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAP2K2 50/4885MAP2K1 62/4885BRAF 5/4885
US-20250100966-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, KRAS MAP2K2 51/4885MAP2K1 53/4885BRAF 1/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS MAP2K2 43/4885MAP2K1 42/4885BRAF 1/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 MAP2K2 49/4885MAP2K1 52/4885BRAF 1/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 MAP2K2 49/4885MAP2K1 52/4885BRAF 1/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 MAP2K2 49/4885MAP2K1 52/4885BRAF 1/4885

“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.