SCHEMBL3889280

SCHEMBL3889280

CC(C)(C)c1nc(-c2cc(NC(=O)O)ccc2F)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.49
NR1I2 O75469 2/20 0.49
CDK2 P24941 2/20 0.41
PLK4 O00444 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
JAK2 O60674 1/20 0.41
ULK1 O75385 1/20 0.41
ERN1 O75460 1/20 0.41
PRKD3 O94806 1/20 0.41
ABL1 P00519 1/20 0.41
KRAS P01116 1/20 0.41
RAF1 P04049 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CDK1 P06493 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
MET P08581 1/20 0.41
HCK P08631 1/20 0.41

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
SCHEMBL12350285 0.85 BRAF (0.44) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL3877886 0.83 BRAF (0.49) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL2194734 0.81 BRAF (0.60) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL3885200 0.81 BRAF (0.47) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL3889443 0.81 BRAF (0.55) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL1127574 0.81 BRAF (0.52) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL12230896 0.79 BRAF (0.46) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL1127719 0.78 BRAF (0.42) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL1641100 0.76 BRAF (0.54) BRAFNR1I2CDK2PLK4EPHB6
SCHEMBL31443323 0.76 BRAF (0.55) BRAFNR1I2CDK2PLK4EPHB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
US-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2014-03-20 US disclosed
US-8642759-B2 Benzene sulfonamide thiazole and oxazole compounds GLAXOSMITHKLINE LLC (US) 2014-02-04 US disclosed
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2013-06-06 US disclosed
US-8415345-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo SmithKline LLC (US) 2013-04-09 US disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US disclosed
WO-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 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 (4 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-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 BRAF 776/4885NR1I2 886/4885CDK2 202/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 BRAF 776/4885NR1I2 886/4885CDK2 202/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 BRAF 776/4885NR1I2 886/4885CDK2 202/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 BRAF 776/4885NR1I2 886/4885CDK2 202/4885

“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.