SCHEMBL1839128

SCHEMBL1839128

CS(=O)(=O)c1cccc(COc2cc3ncnc(NC4CC4)c3cc2Br)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.46
USP2 O75604 4/20 0.46
CYP1A2 P05177 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
MAPK1 P28482 2/20 0.46
IRAK4 Q9NWZ3 14/20 0.43
TSHR P16473 3/20 0.42
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
SCHEMBL1842342 0.96 NSD2 (0.45) NSD2USP2CYP1A2CLK4LMNA
SCHEMBL1707479 0.94 NSD2 (0.46) NSD2USP2CYP1A2CLK4LMNA
SCHEMBL1707556 0.90 NSD2 (0.44) NSD2USP2CYP1A2CLK4LMNA
SCHEMBL1841010 0.89 NSD2 (0.58) NSD2USP2CYP1A2CLK4LMNA
SCHEMBL2184566 0.87 SLC6A4 (0.40) CYP1A2LMNAMAPK1CYP2D6ALDH1A1
SCHEMBL2184357 0.85 EGFR (0.43) LMNAMAPK1ALDH1A1
SCHEMBL13536785 0.85 NSD2 (0.45) NSD2USP2CYP1A2CLK4LMNA
SCHEMBL1843051 0.85 NSD2 (0.56) NSD2USP2CYP1A2CLK4LMNA
SCHEMBL1706605 0.85 NSD2 (0.40) NSD2USP2CYP1A2CLK4LMNA
SCHEMBL1841173 0.85 HTT (0.45) LMNASLC6A4

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-8841311-B2 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-23 US disclosed
US-8841311-B2 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-23 US disclosed
US-8841311-B2 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-23 US disclosed
EP-2321284-B1 SULFONE SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNE-MODULATORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Bayer Pharma AG (DE) 2012-05-09 EP disclosed
US-20110166168-A1 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166168-A1 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
US-20110166168-A1 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 US disclosed
EP-2321284-A1 SULFONE SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNE-MODULATORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
WO-2010009845-A1 SULFONE SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNE-MODULATORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 WO disclosed
WO-2010009845-A1 SULFONE SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNE-MODULATORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 WO 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-20110166168-A1 Sulphone-substituted quinazoline derivatives as immuno-modulators, their preparation and use as medicaments TPMT, IFNG, HLA-DRB1 NSD2 1335/4885USP2 3053/4885CYP1A2 384/4885

“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.