SCHEMBL1841010

SCHEMBL1841010

COc1cc2c(NC3CC3)ncnc2cc1OCc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.58
IRAK4 Q9NWZ3 1/20 0.55
LMNA P02545 4/20 0.48
USP2 O75604 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
CLK4 Q9HAZ1 3/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
LRRK2 Q5S007 3/20 0.48
RET P07949 1/20 0.48
EGFR P00533 8/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
LCK P06239 1/20 0.47
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL1843051 0.96 NSD2 (0.56) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL1755275 0.94 NSD2 (0.57) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL1707567 0.91 NSD2 (0.56) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL1708530 0.90 NSD2 (0.55) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL1839128 0.89 NSD2 (0.46) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL1707490 0.87 NSD2 (0.54) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL13536785 0.85 NSD2 (0.45) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL1842342 0.85 NSD2 (0.45) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL1708497 0.85 NSD2 (0.49) NSD2IRAK4LMNAUSP2CYP1A2
SCHEMBL1839570 0.85 EGFR (0.51) LMNALRRK2RETEGFRHTT

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 11 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
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 1335/4885IRAK4 239/4885LMNA 4875/4885

“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.