SCHEMBL2009853

SCHEMBL2009853

CCOC(COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1[N+](=O)[O-])OCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.40
MAP2K2 P36507 7/20 0.40
CHEK1 O14757 1/20 0.40
MAPK10 P53779 1/20 0.40
PRKAG1 P54619 1/20 0.40
ADCK1 Q86TW2 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
BRAF P15056 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K5 Q13163 1/20 0.38
PIM1 P11309 1/20 0.37
CAMK2B Q13554 1/20 0.37
CA2 P00918 3/20 0.36

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
SCHEMBL12597269 0.85 MAP2K1 (0.40) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL14241150 0.82 MAP2K1 (0.41) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL392951 0.82 MAP2K1 (0.47) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL346016 0.81 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1681101 0.80 MAP2K1 (0.41) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL390166 0.78 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL345946 0.76 MAP2K1 (0.51) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL391717 0.76 MAP2K1 (0.48) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL1681646 0.75 MAP2K1 (0.49) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1681474 0.73 MAP2K1 (0.44) MAP2K1MAP2K2CHEK1MAPK10PRKAG1

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 12 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
EP-2509964-B1 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2014-04-30 EP disclosed
EP-2718276-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES Novartis AG (CH) 2014-04-16 EP disclosed
US-8614239-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-12-24 US disclosed
US-8470878-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-06-25 US disclosed
US-8470878-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-06-25 US disclosed
WO-2012168884-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-12-13 WO disclosed
WO-2012168884-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-12-13 WO disclosed
US-20120316149-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-12-13 US disclosed
EP-2509964-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES Novartis AG (CH) 2012-10-17 EP disclosed
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
WO-2011070030-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-06-16 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 (2 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-20120316149-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES BRAF, MAP3K8, MAP3K2 MAP2K1 74/4885MAP2K2 59/4885CHEK1 284/4885
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES BRAF, NRAS, MAP3K1 MAP2K1 103/4885MAP2K2 77/4885CHEK1 310/4885

“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.