SCHEMBL1706812

SCHEMBL1706812

CCOC(=O)c1cc2c(NC(C)C)ncnc2cc1OCCCSC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.39
KDR P35968 10/20 0.39
ALDH1A1 P00352 2/20 0.39
PRNP P04156 1/20 0.39
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC3 O15379 6/20 0.39
HDAC4 P56524 6/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC7 Q8WUI4 6/20 0.39
HDAC2 Q92769 6/20 0.39
HDAC10 Q969S8 6/20 0.39
HDAC11 Q96DB2 6/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC9 Q9UKV0 6/20 0.39
HDAC5 Q9UQL6 6/20 0.39
ERBB2 P04626 4/20 0.39

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
SCHEMBL1707502 0.84 EGFR (0.38) EGFRKDRALDH1A1HDAC3HDAC4
SCHEMBL1707494 0.80 HPGD (0.47) EGFRKDRALDH1A1NPSR1RXFP1
SCHEMBL1755295 0.79 EGFR (0.53) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL1706532 0.76 EGFR (0.52) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL1755315 0.74 LMNA (0.39) EGFRKDRALDH1A1PRNPTSHR
SCHEMBL1706830 0.74 MAPT (0.38) EGFRKDRALDH1A1HDAC3HDAC4
SCHEMBL1707326 0.72 KDR (0.38) EGFRKDRALDH1A1RXFP1ERBB2
SCHEMBL1755314 0.63 EGFR (0.49) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL1521611 0.63 ALDH1A1 (0.65) ALDH1A1KDM4EHPGD
SCHEMBL30873265 0.63 ALDH1A1 (0.65) ALDH1A1KDM4EHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 EGFR 4536/4885KDR 3554/4885ALDH1A1 1854/4885

“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.