SCHEMBL3887751

SCHEMBL3887751

O=C(O)Nc1ccc(F)c(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
RIPK2 O43353 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
EGFR P00533 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 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
SCHEMBL12350237 0.87 KMT2A (0.38) KCNH2KMT2AMEN1LMNARIPK2
SCHEMBL3884359 0.86 KCNH2 (0.42) KCNH2KMT2AMEN1LMNARIPK2
SCHEMBL1127746 0.83 KCNH2 (0.44) KCNH2RIPK2MAPTGAAEGFR
SCHEMBL2193545 0.83 RIPK2 (0.53) KCNH2RIPK2PIK3CA
SCHEMBL1888596 0.82 BRAF (0.45) KCNH2RIPK2EGFR
SCHEMBL2190892 0.82 BRAF (0.51) KCNH2RIPK2
SCHEMBL3889207 0.81 ALDH1A1 (0.41) KCNH2KMT2AMEN1LMNARIPK2
SCHEMBL1127477 0.80 KCNH2 (0.37) KCNH2KMT2AMEN1LMNARIPK2
SCHEMBL3885200 0.79 BRAF (0.47) RIPK2
SCHEMBL1871665 0.76 RIPK2 (0.38) KCNH2RIPK2ALDH1A1HPGDEGFR

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 KCNH2 1701/4885KMT2A 2622/4885MEN1 3639/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 KCNH2 1701/4885KMT2A 2622/4885MEN1 3639/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 KCNH2 1701/4885KMT2A 2622/4885MEN1 3639/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 KCNH2 1701/4885KMT2A 2622/4885MEN1 3639/4885

“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.