SCHEMBL3426587

SCHEMBL3426587

COC(=O)c1cc2c(N)ccnc2c(F)c1Nc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.47
MAP2K2 P36507 3/20 0.47
ABCB11 O95342 1/20 0.47
NQO2 P16083 1/20 0.47
EGFR P00533 2/20 0.39
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
KDR P35968 1/20 0.39
SMC2 O95347 1/20 0.38
CSNK2A2 P19784 1/20 0.38
SMC1A Q14683 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38

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
SCHEMBL3422099 0.89 MAP2K1 (0.46) MAP2K1MAP2K2ABCB11NQO2EGFR
SCHEMBL3424609 0.89 MAP2K1 (0.51) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL3423445 0.88 MAP2K1 (0.45) MAP2K1MAP2K2ABCB11NQO2EGFR
SCHEMBL3425476 0.86 MAP2K1 (0.47) MAP2K1MAP2K2ABCB11NQO2EGFR
SCHEMBL3426067 0.85 MAP2K1 (0.46) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL10305792 0.83 MAP2K1 (0.66) MAP2K1MAP2K2ABCB11NQO2EGFR
SCHEMBL1343291 0.78 MAP2K1 (0.53) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL3425189 0.78 MAP2K1 (0.45) MAP2K1MAP2K2ABCB11NQO2EGFR
SCHEMBL1040015 0.78 MAP2K1 (0.46) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL3428440 0.77 MAP2K1 (0.44) MAP2K1MAP2K2ABCB11NQO2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689233-B1 BICYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2012-07-04 EP disclosed
US-7772234-B2 7-(2,4-Dichlorophenylamino)-8-fluoro-4-methyl-cinnoline-6-carboxylic acid (2-hydroxyethoxy)-amide; mitogen activated protein, extracellular signal regulated kinase, kinase inhibitor; cancer and inflammation ARRAY BIOPHARMA INC. (US) 2010-08-10 US disclosed
EP-1689233-A4 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-08-29 EP disclosed
EP-1689233-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051302-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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 (1 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-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 33/4885MAP2K2 26/4885ABCB11 1567/4885

“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.