SCHEMBL1707491

SCHEMBL1707491

CCS(=N)(=O)c1cccc(COc2cc3ncnc(Nc4cc[nH]n4)c3cc2OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.50
EGFR P00533 9/20 0.49
KDR P35968 6/20 0.48
GAK O14976 1/20 0.47
RET P07949 2/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
LCK P06239 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK1 P28482 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
CDK2 P24941 1/20 0.46
PIK3R1 P27986 1/20 0.46
EPHB2 P29323 1/20 0.46
KIF5B P33176 1/20 0.46
TTBK1 Q5TCY1 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
SCHEMBL5132792 0.93 EGFR (0.50) LRRK2EGFRKDRGAKRET
SCHEMBL1707506 0.84 EGFR (0.49) LRRK2EGFRKDRGAKRET
SCHEMBL1707871 0.83 LRRK2 (0.49) LRRK2EGFRKDRGAKRET
SCHEMBL1755274 0.83 LRRK2 (0.49) LRRK2EGFRKDRGAKRET
SCHEMBL1707567 0.82 NSD2 (0.56) LRRK2EGFRGAKRETHTT
SCHEMBL1706989 0.81 EGFR (0.41) LRRK2EGFRKDRGAKRET
SCHEMBL1707490 0.81 NSD2 (0.54) LRRK2EGFRGAKRETHTT
SCHEMBL5132790 0.81 EGFR (0.49) EGFRKDRGAKRETHTT
SCHEMBL1840359 0.80 EGFR (0.42) LRRK2EGFRKDRGAKRET
SCHEMBL8704247 0.80 EGFR (0.63) EGFRKDRGAKRETLCK

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 12 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
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
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

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 LRRK2 2229/4885EGFR 4536/4885KDR 3554/4885

“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.