SCHEMBL1707257

SCHEMBL1707257

CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3nc(CC)nc(Nc4nccs4)c3cc2C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.36
CDK9 P50750 2/20 0.36
EGFR P00533 2/20 0.35
KDR P35968 5/20 0.35
CDK1 P06493 4/20 0.34
SYK P43405 2/20 0.33
PKM P14618 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
SCN9A Q15858 1/20 0.33
CSNK2A1 P68400 1/20 0.32
GCK P35557 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL1707255 0.84 EGFR (0.39) EGFRKDR
SCHEMBL1706625 0.81 EGFR (0.46) EGFRKDR
SCHEMBL1707445 0.75 EGFR (0.41) EGFRKDR
SCHEMBL1708256 0.74 EGFR (0.46) EGFRKDR
SCHEMBL1706623 0.73 AURKA (0.43) EGFRKDRPKMMAPK1
SCHEMBL1707326 0.72 KDR (0.38) CDK2EGFRKDRCDK1
SCHEMBL1706533 0.71 EGFR (0.45) EGFRKDR
SCHEMBL1708360 0.71 DHFR (0.37) CDK2CDK9EGFRATRATRIP
SCHEMBL1706629 0.70 KDR (0.39) CDK2EGFRKDRCDK1MAPK1
SCHEMBL1707533 0.70 KDR (0.45) CDK2EGFRKDRCDK1

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-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
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
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 CDK2 3548/4885CDK9 3584/4885EGFR 4536/4885

“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.