SCHEMBL188517

SCHEMBL188517

O=C(O)C1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.80
MAP2K2 P36507 18/20 0.80
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
BRAF P15056 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
ACTR3 P61158 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL189027 0.90 MAP2K1 (0.78) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL29413458 0.89 MAP2K1 (0.77) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL188874 0.89 MAP2K1 (0.77) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL189188 0.89 MAP2K1 (1.00) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL29413551 0.89 MAP2K1 (1.00) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL188456 0.89 MAP2K1 (0.76) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL4997116 0.88 MAP2K1 (0.82) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL188585 0.88 MAP2K1 (0.82) MAP2K1MAP2K2CHRM2CHRM1BRAF
Hydrochloric Acid SCHEMBL29413470 0.88 MAP2K1 (0.98) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL30220857 0.88 MAP2K1 (0.82) MAP2K1MAP2K2CHRM2CHRM1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 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
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 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
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
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 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
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-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 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 (10 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 MAP2K1 52/4885MAP2K2 49/4885CHRM2 4755/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAP2K1 65/4885MAP2K2 51/4885CHRM2 4873/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAP2K1 65/4885MAP2K2 51/4885CHRM2 4873/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAP2K1 62/4885MAP2K2 50/4885CHRM2 4834/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS MAP2K1 62/4885MAP2K2 66/4885CHRM2 4555/4885
US-20250100966-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, KRAS MAP2K1 53/4885MAP2K2 51/4885CHRM2 4559/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS MAP2K1 42/4885MAP2K2 43/4885CHRM2 4862/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 MAP2K1 52/4885MAP2K2 49/4885CHRM2 4755/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 MAP2K1 52/4885MAP2K2 49/4885CHRM2 4755/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 MAP2K1 52/4885MAP2K2 49/4885CHRM2 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.