SCHEMBL1706641

SCHEMBL1706641

CC(=O)NCCNc1ncnc2cc(OCc3cccc(S(C)(=N)=O)c3)c(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.49
CLK4 Q9HAZ1 10/20 0.49
CYP3A4 P08684 9/20 0.49
USP2 O75604 5/20 0.49
TSHR P16473 4/20 0.49
HIF1A Q16665 4/20 0.49
ALDH1A1 P00352 8/20 0.47
HSD17B10 Q99714 8/20 0.47
CYP2D6 P10635 6/20 0.47
CYP2C19 P33261 6/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
EGFR P00533 6/20 0.39
AURKA O14965 1/20 0.39
HTT P42858 2/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL1707540 0.89 LMNA (0.46) LMNAMAPK1KDM4EHPGDEGFR
SCHEMBL1707897 0.87 ALDH1A1 (0.49) CYP1A2CLK4CYP3A4USP2TSHR
SCHEMBL1707572 0.87 CYP1A2 (0.44) CYP1A2CLK4CYP3A4USP2TSHR
SCHEMBL1707310 0.86 EGFR (0.42) ALDH1A1LMNAMAPK1KDM4EHPGD
SCHEMBL1707315 0.86 GAA (0.43) LMNAMAPK1KDM4EHPGDEGFR
SCHEMBL1708349 0.84 EGFR (0.39) ALDH1A1LMNAMAPK1KDM4EHPGD
SCHEMBL1706565 0.84 EGFR (0.39) ALDH1A1LMNAMAPK1KDM4EHPGD
SCHEMBL2183102 0.83 LMNA (0.47) LMNAMAPK1KDM4EHPGDEGFR
SCHEMBL1708357 0.83 EGFR (0.38) ALDH1A1LMNAMAPK1KDM4EHPGD
SCHEMBL1706628 0.82 EGFR (0.39) CYP1A2HIF1AALDH1A1CYP2D6LMNA

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-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
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
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
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 (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-20090186911-A1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNO-MODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS IFNG, TPMT, IRF3 CYP1A2 757/4885CLK4 2909/4885CYP3A4 602/4885

“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.