SCHEMBL1979694

SCHEMBL1979694

COc1cc(F)c(F)c(Nc2ccc(Br)cc2F)c1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.48
EGFR P00533 2/20 0.48
RET P07949 1/20 0.48
KIF5B P33176 1/20 0.48
MAP2K1 Q02750 15/20 0.45
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAP2K2 P36507 2/20 0.38
CHEK1 O14757 1/20 0.38
MAPK10 P53779 1/20 0.38
PRKAG1 P54619 1/20 0.38
ADCK1 Q86TW2 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38

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
SCHEMBL11908624 0.89 KDR (0.48) KDREGFRRETKIF5BMAP2K1
SCHEMBL19050845 0.85 CSF1R (0.47) KDREGFRMAP2K1ALDH1A1MAP2K2
SCHEMBL345623 0.84 MAP2K1 (0.52) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL15702106 0.82 MAP2K1 (0.39) EGFRMAP2K1MAP2K2CHEK1MAPK10
SCHEMBL1681405 0.80 MAP2K1 (0.42) KDREGFRRETKIF5BMAP2K1
SCHEMBL1983602 0.79 EGFR (0.44) KDREGFRRETKIF5BMAP2K1
SCHEMBL388251 0.77 MAP2K1 (0.38) KDRMAP2K1ALDH1A1GAAMAPT
SCHEMBL3804854 0.74 MAP2K1 (0.46) KDREGFRRETKIF5BMAP2K1
SCHEMBL1681218 0.74 EGFR (0.44) KDREGFRRETKIF5BMAP2K1
SCHEMBL935637 0.73 MAP2K1 (0.50) 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 5 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
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 (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 KDR 1342/4885EGFR 252/4885RET 282/4885

“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.