SCHEMBL12540652

SCHEMBL12540652

Cc1nc2c(F)c(F)c(Nc3ccc(Br)cc3F)c(C(N)=O)c2o1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.47
MAP2K2 P36507 2/20 0.42
ABCB11 O95342 1/20 0.39
NQO2 P16083 1/20 0.39
DYRK1A Q13627 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGFR P43088 1/20 0.37

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
SCHEMBL12540033 0.87 MAP2K1 (0.51) MAP2K1MAP2K2
SCHEMBL2049340 0.77 MAP2K1 (0.37) MAP2K1
SCHEMBL5555415 0.73 MAP2K1 (0.54) MAP2K1MAP2K2
SCHEMBL12540063 0.71 MAP2K1 (0.41) MAP2K1MAP2K2
SCHEMBL27883682 0.69 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL12540057 0.68 MAP2K1 (0.38) MAP2K1MAP2K2ABCB11NQO2NPC1
SCHEMBL12540056 0.68 MAP2K1 (0.43) MAP2K1MAP2K2ABCB11NQO2DYRK1A
SCHEMBL30185614 0.68 MAP2K1 (0.71) MAP2K1MAP2K2
SCHEMBL1344228 0.67 MAP2K1 (0.45) MAP2K1MAP2K2ABCB11NQO2NPC1
SCHEMBL4344176 0.66 MAP2K1 (0.41) MAP2K1MAP2K2ABCB11NQO2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509964-B1 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2014-04-30 EP disclosed
US-8614239-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-12-24 US disclosed
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-09-27 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-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES BRAF, NRAS, MAP3K1 MAP2K1 103/4885MAP2K2 77/4885ABCB11 1935/4885

“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.