SCHEMBL1838804

SCHEMBL1838804

COc1cc2c(Nc3ccncc3)ncnc2cc1OCc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.58
EPHA2 P29317 2/20 0.58
ERBB2 P04626 1/20 0.58
EGFR P00533 11/20 0.58
LRRK2 Q5S007 5/20 0.56
RET P07949 4/20 0.56
FLT1 P17948 2/20 0.55
EPHB4 P54760 1/20 0.55
GAK O14976 2/20 0.54
LCK P06239 2/20 0.53
RIPK2 O43353 1/20 0.53
STK10 O94804 1/20 0.53
FLT3 P36888 1/20 0.53
JAK3 P52333 1/20 0.53
AAK1 Q2M2I8 1/20 0.53
Q6ZSR9 Q6ZSR9 1/20 0.53
SLK Q9H2G2 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.53
RPS6KA6 Q9UK32 1/20 0.53
ALK Q9UM73 1/20 0.53

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
SCHEMBL1706719 0.94 KDR (0.58) KDREPHA2ERBB2EGFRLRRK2
SCHEMBL2183476 0.90 KDR (0.62) KDREPHA2ERBB2EGFRLRRK2
SCHEMBL1841127 0.86 EGFR (0.56) KDREPHA2ERBB2EGFRLRRK2
SCHEMBL1837696 0.85 LRRK2 (0.50) KDREPHA2ERBB2EGFRLRRK2
SCHEMBL1707225 0.85 EGFR (0.53) KDREPHA2ERBB2EGFRLRRK2
SCHEMBL1707535 0.84 KDR (0.61) KDREPHA2ERBB2EGFRLRRK2
SCHEMBL1707497 0.84 LRRK2 (0.55) KDREPHA2ERBB2EGFRLRRK2
SCHEMBL1839570 0.84 EGFR (0.51) KDREGFRLRRK2RETGAK
SCHEMBL1841010 0.82 NSD2 (0.58) EGFRLRRK2RETGAKLCK
SCHEMBL1843051 0.81 NSD2 (0.56) EGFRLRRK2RETGAKLCK

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 KDR 4336/4885EPHA2 4509/4885ERBB2 4194/4885

“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.