SCHEMBL486496

SCHEMBL486496

Cc1cc2[nH]c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.39
MAP2K2 P36507 3/20 0.39
MAP2K5 Q13163 1/20 0.39
EIF2AK1 Q9BQI3 1/20 0.39
DAO P14920 1/20 0.37
CASP3 P42574 1/20 0.34
NOX4 Q9NPH5 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL486397 0.90 CASP3 (0.35) MAP2K1MAP2K2DAOCASP3NOX4
SCHEMBL4142105 0.88 NPSR1 (0.36) DAONOX4MAPK13MAPK12MAPK11
SCHEMBL27093435 0.86 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5EIF2AK1CASP3
SCHEMBL486648 0.82 CASP3 (0.35) MAP2K1MAP2K2DAOCASP3NOX4
SCHEMBL13063584 0.76 MAP2K1 (0.35) MAP2K1MAP2K2MAP2K5EIF2AK1NOX4
SCHEMBL14257399 0.75 ATM (0.44) MAP2K1MAP2K2CASP3MAPK13MAPK12
SCHEMBL1516498 0.75 CASP3 (0.36) MAP2K1MAP2K2DAOCASP3NOX4
SCHEMBL13063820 0.73 MAP2K1 (0.32) MAP2K1MAPK13MAPK12MAPK11MAPK14
SCHEMBL487093 0.71 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL31487922 0.71 MAP2K1 (0.40) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-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.