SCHEMBL1707326

SCHEMBL1707326

CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3ncnc(NC(C)C)c3cc2C(=O)OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.38
CDK1 P06493 4/20 0.38
CDK2 P24941 4/20 0.38
HPGD P15428 2/20 0.38
EGFR P00533 5/20 0.36
ERBB2 P04626 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NMT1 P30419 2/20 0.35
ERBB4 Q15303 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LRRK2 Q5S007 1/20 0.34
AURKB Q96GD4 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL1707216 0.90 KDR (0.43) KDRCDK1CDK2HPGDEGFR
SCHEMBL1707039 0.90 EGFR (0.45) KDREGFRERBB2LRRK2
SCHEMBL1706488 0.88 KDR (0.40) KDRCDK1CDK2EGFRERBB2
SCHEMBL12935430 0.88 KDR (0.37) KDRCDK1CDK2HPGDEGFR
SCHEMBL1708084 0.88 KDR (0.37) KDRCDK1CDK2HPGDEGFR
SCHEMBL1707255 0.86 EGFR (0.39) KDRHPGDEGFRERBB2KDM4E
SCHEMBL1706610 0.82 KDR (0.40) KDRCDK1CDK2HPGDEGFR
SCHEMBL1707486 0.82 EGFR (0.45) KDRHPGDEGFRERBB2KDM4E
SCHEMBL1707219 0.81 KDR (0.46) KDRCDK1CDK2EGFRLMNA
SCHEMBL1706702 0.81 CDK1 (0.42) KDRCDK1CDK2HPGDEGFR

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 10 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
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
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

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 3554/4885CDK1 3707/4885CDK2 3548/4885

“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.