SCHEMBL1707533

SCHEMBL1707533

CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3ncnc(Nc4ccc(O)cc4)c3cc2Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.45
EGFR P00533 11/20 0.44
GAK O14976 1/20 0.44
RIPK2 O43353 1/20 0.44
STK10 O94804 1/20 0.44
RET P07949 1/20 0.44
FLT3 P36888 1/20 0.44
JAK3 P52333 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
Q6ZSR9 Q6ZSR9 1/20 0.44
SLK Q9H2G2 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
RPS6KA6 Q9UK32 1/20 0.44
ALK Q9UM73 1/20 0.44
LCK P06239 1/20 0.44
CDK1 P06493 3/20 0.43
CDK2 P24941 3/20 0.43
ERBB2 P04626 5/20 0.42
ERBB4 Q15303 3/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL1706629 0.89 KDR (0.39) KDREGFRLCKCDK1CDK2
SCHEMBL1706627 0.88 KDR (0.38) KDREGFRCDK1CDK2ERBB2
SCHEMBL1707216 0.88 KDR (0.43) KDREGFRCDK1CDK2ERBB2
SCHEMBL1706635 0.87 LMNA (0.39) KDREGFRCDK1CDK2HPGD
SCHEMBL1706605 0.86 NSD2 (0.40) KDREGFRIRAK4CDK1CDK2
SCHEMBL1706610 0.86 KDR (0.40) KDREGFRCDK1CDK2ERBB2
SCHEMBL1707454 0.85 KDR (0.41) KDREGFRCDK1CDK2ERBB2
SCHEMBL1707275 0.85 ALDH1A1 (0.42) KDREGFRCDK1CDK2ALDH1A1
SCHEMBL1708253 0.85 KDR (0.41) KDREGFRCDK1CDK2ERBB2
SCHEMBL1707206 0.85 EGFR (0.36) KDREGFRCDK1CDK2ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863283-B2 Sulphoximine-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2011-01-04 US claimed
EP-2247579-B1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS Bayer Pharma AG (DE) 2012-04-18 EP disclosed
US-7863283-B2 Sulphoximine-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2011-01-04 US disclosed
US-7863283-B2 Sulphoximine-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2011-01-04 US disclosed
US-7863283-B2 Sulphoximine-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2011-01-04 US disclosed
EP-2247579-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-11-10 EP disclosed
WO-2009089851-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-23 WO disclosed
WO-2009089851-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-23 WO disclosed
US-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-23 US disclosed
US-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-23 US disclosed
US-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-07-23 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 (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-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS IFNG, TPMT, IRF3 KDR 3554/4885EGFR 4536/4885GAK 2986/4885

“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.