SCHEMBL486528

SCHEMBL486528

Cn1c(=O)c(F)cc2c1n(-c1ccc(I)cc1F)c(=O)n2S(=O)(=O)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL487093 0.92 MAP2K1 (0.39) MAP2K1MEN1TP53HPGDKMT2A
SCHEMBL4142320 0.87 BRPF1 (0.35) MAP2K1MEN1TP53HPGDKMT2A
SCHEMBL4146815 0.81 LMNA (0.34) MEN1TP53HPGDKMT2A
SCHEMBL12656472 0.78 MAP2K1 (0.33) MAP2K1TSHRHSD17B10CASP3
SCHEMBL487042 0.78 MAP2K1 (0.32) MAP2K1
SCHEMBL12126919 0.74 MAP2K1 (0.33) MAP2K1
SCHEMBL392974 0.73
SCHEMBL1341242 0.72
SCHEMBL487017 0.71 MAP2K1 (0.36) MAP2K1
SCHEMBL387037 0.71 MAP2K1 (0.34) MAP2K1

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 9 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
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

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 59/4885TSHR 3675/4885HSD17B10 2623/4885

“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.