SCHEMBL4134490

SCHEMBL4134490

Cc1ccc(Nc2c(NS(=O)(=O)C3CC3)cc(C)c(=O)n2C)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.54
BRAF P15056 1/20 0.40
MRGPRX1 Q96LB2 3/20 0.40
HRH1 P35367 1/20 0.40
MAP2K2 P36507 2/20 0.38
MAP2K5 Q13163 1/20 0.38
EIF2AK1 Q9BQI3 1/20 0.38
FKBP1A P62942 1/20 0.37
BRPF1 P55201 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 3/20 0.35
JAK2 O60674 2/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KIT P10721 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13063815 0.91 MAP2K1 (0.54) MAP2K1BRAFMRGPRX1HRH1MAP2K2
SCHEMBL2701377 0.89 MAP2K1 (0.68) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL13063766 0.89 MAP2K1 (0.52) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL3806030 0.85 MAP2K1 (0.66) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL3803502 0.85 MAP2K1 (0.66) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL486695 0.80 MAP2K1 (0.57) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL12407095 0.79 MRGPRX1 (0.51) BRAFMRGPRX1HRH1KIT
SCHEMBL3811677 0.79 MAP2K1 (0.41) MAP2K1BRAFBRPF1L3MBTL1BRD4
SCHEMBL15579607 0.78 MAP2K1 (0.54) MAP2K1BRAFMAP2K2MAP2K5EIF2AK1
SCHEMBL9284438 0.77 BRAF (0.48) MAP2K1BRAFMRGPRX1HRH1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 59/4885BRAF 1/4885MRGPRX1 3028/4885

“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.