SCHEMBL1562941

SCHEMBL1562941

C=CCOCc1cc(C(=O)O)c(Nc2ccc(I)cc2F)c(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.59
MAP2K2 P36507 2/20 0.56
AURKA O14965 4/20 0.55
TNFRSF1A P19438 4/20 0.55
SRC P12931 3/20 0.55
PRKCB P05771 1/20 0.55
STK3 Q13188 1/20 0.55
MAP3K9 P80192 3/20 0.54
KDR P35968 2/20 0.54
ABL1 P00519 2/20 0.48
LCK P06239 2/20 0.48
CLK1 P49759 2/20 0.48
FGFR1 P11362 1/20 0.48
EPHA2 P29317 1/20 0.48
BTK Q06187 1/20 0.48
IDO1 P14902 1/20 0.47

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
SCHEMBL3586075 0.85 MAP2K1 (0.83) MAP2K1MAP2K2
SCHEMBL1563272 0.80 AURKA (0.66) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL1563236 0.80 MAP2K1 (0.65) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL1562455 0.79 MAP2K1 (0.62) MAP2K1
SCHEMBL1562726 0.78 MAP2K1 (0.65) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL31130095 0.78 MAP2K1 (0.65) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL34462118 0.78 MAP2K1 (0.74) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL4860159 0.77 MAP2K1 (0.75) MAP2K1MAP2K2AURKATNFRSF1ASRC
Trifluoroacetic Acid SCHEMBL1561955 0.76 AURKA (0.60) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL1562380 0.74 MAP2K1 (0.67) MAP2K1MAP2K2AURKATNFRSF1ASRC

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575391-B2 5-substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-11-05 US disclosed
US-8575391-B2 5-substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-11-05 US disclosed
US-8575391-B2 5-substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-11-05 US disclosed
EP-1780197-B9 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-04-06 EP disclosed
EP-1780197-B1 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-10-20 EP disclosed
US-20100197676-A1 5-Substituted-2-Phenylamino Benzamides as Mek Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100197676-A1 5-Substituted-2-Phenylamino Benzamides as Mek Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100197676-A1 5-Substituted-2-Phenylamino Benzamides as Mek Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-7745663-B2 5-Substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-06-29 US disclosed
US-7745663-B2 5-Substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-06-29 US disclosed
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-09-17 US disclosed
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-09-17 US disclosed
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-09-17 US disclosed
EP-1780197-A1 5-SUBSTITUTED-2-PHENYLAMINO-BENZAMIDE AS MEK INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-02 EP 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 (2 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-20100197676-A1 5-Substituted-2-Phenylamino Benzamides as Mek Inhibitors BRAF, RAF1, NRAS MAP2K1 41/4885MAP2K2 36/4885AURKA 461/4885
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors BRAF, RAF1, NRAS MAP2K1 41/4885MAP2K2 36/4885AURKA 461/4885

“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.