SCHEMBL486648

SCHEMBL486648

Cn1c(=O)ccc2[nH]c(=O)n(-c3ccc(I)cc3F)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.35
MAP2K1 Q02750 15/20 0.34
MAP2K2 P36507 7/20 0.34
NOX4 Q9NPH5 2/20 0.33
DAO P14920 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 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 0.85 CASP3 (0.35) CASP3MAP2K1MAP2K2NOX4DAO
SCHEMBL486496 0.82 MAP2K1 (0.39) CASP3MAP2K1MAP2K2NOX4DAO
SCHEMBL14257399 0.74 ATM (0.44) CASP3MAP2K1MAP2K2MAPK13MAPK12
SCHEMBL27093435 0.73 MAP2K1 (0.38) CASP3MAP2K1MAP2K2NOX4MAPK13
SCHEMBL1516498 0.72 CASP3 (0.36) CASP3MAP2K1MAP2K2NOX4DAO
SCHEMBL1419677 0.71 ALDH1A1 (0.37) CASP3MAP2K1MAP2K2MAPK13MAPK12
SCHEMBL14878785 0.71 MAP2K1 (0.34) CASP3MAP2K1MAP2K2MAPK13MAPK12
SCHEMBL13063584 0.71 MAP2K1 (0.35) MAP2K1MAP2K2NOX4MAPK13MAPK12
SCHEMBL4142320 0.70 BRPF1 (0.35) CASP3MAP2K1
SCHEMBL13063820 0.70 MAP2K1 (0.32) MAP2K1MAPK13MAPK12MAPK11MAPK14

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 11 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-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
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

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 CASP3 2895/4885MAP2K1 59/4885MAP2K2 52/4885

“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.