SCHEMBL2004405

SCHEMBL2004405

Cc1nc2c(F)c(F)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)c2o1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
MAP2K1 Q02750 15/20 0.36
MAP2K2 P36507 7/20 0.36
CHEK1 O14757 1/20 0.36
MAPK10 P53779 1/20 0.36
PRKAG1 P54619 1/20 0.36
ADCK1 Q86TW2 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
AURKA O14965 1/20 0.34
TNFRSF1A P19438 1/20 0.34
KDR P35968 1/20 0.34
MAP3K9 P80192 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL2049340 0.89 MAP2K1 (0.37) MAP2K1KMT2ATDP1BRAF
SCHEMBL1980229 0.85 MAP2K1 (0.42) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL1992129 0.82 IDO1 (0.38) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL12540063 0.78 MAP2K1 (0.41) IDO1MAP2K1MAP2K2
SCHEMBL12597717 0.78 MAP2K1 (0.40) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL12540033 0.77 MAP2K1 (0.51) IDO1MAP2K1MAP2K2
SCHEMBL391025 0.77 MAP2K1 (0.47) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL1343602 0.76 IDO1 (0.40) IDO1MAP2K1MAP2K2CHEK1MAPK10
SCHEMBL391574 0.74 MAP2K1 (0.53) MAP2K1MAP2K2BRAF
SCHEMBL1343822 0.74 BRD4 (0.44) IDO1MAP2K1MAP2K2CHEK1MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509964-B1 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2014-04-30 EP claimed
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
US-20100291151-A1 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-18 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 (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-20100291151-A1 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR TACR1, HTR3A, HTR3C IDO1 1085/4885MAP2K1 3844/4885MAP2K2 3624/4885
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES BRAF, NRAS, MAP3K1 IDO1 2196/4885MAP2K1 103/4885MAP2K2 77/4885

“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.