SCHEMBL1706623

SCHEMBL1706623

CCOC(=O)N=S(C)(=O)c1cccc(CNc2ccc3c(Nc4nccs4)ncnc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
EGFR P00533 5/20 0.37
ERBB4 Q15303 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDR P35968 2/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13784412 0.90 AURKB (0.46) AURKAAURKBEGFRERBB4LMNA
SCHEMBL1707083 0.87 MAPT (0.41) AURKAAURKBEGFRERBB4LMNA
SCHEMBL1707576 0.84 MAPK1 (0.39) EGFRERBB4LMNAPOLBMAPT
SCHEMBL1707187 0.83 AURKA (0.45) AURKAAURKBEGFRLMNAMAPT
SCHEMBL1706625 0.83 EGFR (0.46) EGFRKDR
SCHEMBL1707255 0.82 EGFR (0.39) AURKAAURKBEGFRERBB4LMNA
SCHEMBL1708256 0.76 EGFR (0.46) EGFRKDR
SCHEMBL1706533 0.73 EGFR (0.45) EGFRKDR
SCHEMBL1707257 0.73 CDK2 (0.36) EGFRKDRMAPK1PKM
SCHEMBL1707533 0.73 KDR (0.45) AURKAEGFRERBB4HPGDALDH1A1

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 AURKA 3866/4885AURKB 3872/4885EGFR 1351/4885
US-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS IFNG, TPMT, IRF3 AURKA 4510/4885AURKB 3510/4885EGFR 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.