SCHEMBL486563

SCHEMBL486563

Cn1c(Nc2ccc(I)cc2F)c(C(=O)O)ccc1=O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.69
MAP2K2 P36507 8/20 0.63
MAP2K5 Q13163 1/20 0.51
EIF2AK1 Q9BQI3 1/20 0.51
IDO1 P14902 1/20 0.50

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
SCHEMBL29425363 1.00 MAP2K1 (0.69) MAP2K1MAP2K2MAP2K5EIF2AK1IDO1
SCHEMBL31236937 0.89 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL393663 0.89 MAP2K1 (0.64) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL392555 0.88 MAP2K1 (0.57) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL29781366 0.88 MAP2K1 (0.57) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL3456426 0.86 MAP2K1 (0.53) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL486396 0.85 MAP2K1 (0.72) MAP2K1MAP2K2MAP2K5EIF2AK1IDO1
SCHEMBL387684 0.85 MAP2K1 (0.58) MAP2K1MAP2K2
SCHEMBL13070282 0.85 MAP2K1 (0.50) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL387629 0.85 MAP2K1 (0.58) MAP2K1MAP2K2MAP2K5EIF2AK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102633716-A Bicyclic inhibitors of mek and methods of use thereof ARRAY BIOPHARMA INC 2012-08-15 CN claimed
CN-1905873-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2007-01-31 CN claimed
EP-2411366-B1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC (US) 2015-05-20 EP disclosed
EP-2411366-B1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC (US) 2015-05-20 EP disclosed
US-8673919-B2 Dihydropyridin sulfonamides and dihydropyridin sulfamides as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2014-03-18 US disclosed
US-8673919-B2 Dihydropyridin sulfonamides and dihydropyridin sulfamides as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2014-03-18 US disclosed
US-8211921-B2 Heterocyclic inhibitors of MEK and methods of use ARRAY BIOPHARMA INC. (US) 2012-07-03 US disclosed
CN-102448938-A Dihydropyridine sulfonamides and dihydropyridine sulfamides as MEK inhibitors ARDEA BIOSCIENCES INC 2012-05-09 CN disclosed
US-20120107307-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC. (US) 2012-05-03 US disclosed
US-20120107307-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC. (US) 2012-05-03 US disclosed
EP-2411366-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS Ardea Biosciences, Inc. (US) 2012-02-01 EP disclosed
WO-2010108652-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC. (US) 2010-09-30 WO disclosed
WO-2010108652-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC. (US) 2010-09-30 WO disclosed
US-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2009-05-21 US disclosed
CN-1905873-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2007-01-31 CN 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-20090131435-A1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE NRAS, BRAF, MAPK9 MAP2K1 88/4885MAP2K2 71/4885MAP2K5 106/4885
US-20120107307-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS BRAF, NRAS, MAP3K12 MAP2K1 59/4885MAP2K2 52/4885MAP2K5 67/4885

“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.