SCHEMBL1706610

SCHEMBL1706610

CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3ncnc(NC(CO)CO)c3cc2Br)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.40
CDK2 P24941 9/20 0.40
CDK1 P06493 8/20 0.40
FBP1 P09467 1/20 0.34
EGFR P00533 7/20 0.34
ERBB2 P04626 2/20 0.34
ERBB4 Q15303 1/20 0.34
HPGD P15428 1/20 0.34
CDK9 P50750 1/20 0.33

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 0.92 KDR (0.43) KDRCDK2CDK1FBP1EGFR
SCHEMBL1706629 0.89 KDR (0.39) KDRCDK2CDK1FBP1EGFR
SCHEMBL1706635 0.88 LMNA (0.39) KDRCDK2CDK1FBP1EGFR
SCHEMBL1707454 0.87 KDR (0.41) KDRCDK2CDK1FBP1EGFR
SCHEMBL1708253 0.87 KDR (0.41) KDRCDK2CDK1FBP1EGFR
SCHEMBL1706627 0.86 KDR (0.38) KDRCDK2CDK1FBP1EGFR
SCHEMBL1706605 0.86 NSD2 (0.40) KDRCDK2CDK1EGFR
SCHEMBL1707533 0.86 KDR (0.45) KDRCDK2CDK1FBP1EGFR
SCHEMBL1707275 0.85 ALDH1A1 (0.42) KDRCDK2CDK1EGFR
SCHEMBL1707016 0.85 EGFR (0.38) FBP1EGFRERBB2HPGD

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-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
US-20140140927-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION (US) 2014-05-22 US 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
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 (2 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-20140140927-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT PSEN1, PSEN2, CROCC KDR 3928/4885CDK2 3376/4885CDK1 1540/4885
US-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS IFNG, TPMT, IRF3 KDR 3554/4885CDK2 3548/4885CDK1 3707/4885

“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.