SCHEMBL1707137

SCHEMBL1707137

CCOC(=O)c1cc2c(Nc3nccs3)ncnc2cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.44
KDR P35968 4/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 4/20 0.41
GCK P35557 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 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
SCHEMBL1707494 0.78 HPGD (0.47) ALDH1A1HPGDKDM4EKDRRAB9A
SCHEMBL1707445 0.78 EGFR (0.41) ALDH1A1HPGDKDM4EKDRLMNA
SCHEMBL1707255 0.75 EGFR (0.39) ALDH1A1HPGDKDM4EKDRLMNA
SCHEMBL3643755 0.69 RAB9A (0.60) ALDH1A1HPGDKDM4EPKMRAB9A
SCHEMBL15349501 0.68 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EPKMRAB9A
SCHEMBL19974132 0.66 PKM (0.55) ALDH1A1PKMRAB9ALMNAMAPT
SCHEMBL18061497 0.66 ALDH1A1 (0.48) ALDH1A1KDM4EPKMRAB9ALMNA
SCHEMBL14216831 0.66 KDR (0.57) ALDH1A1HPGDKDM4EKDRRAB9A
SCHEMBL322149 0.65 CA12 (0.69) ALDH1A1KDM4ERAB9ALMNAMAPT
SCHEMBL6662871 0.65 KDR (0.77) ALDH1A1HPGDKDM4EKDRRAB9A

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
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
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
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 ALDH1A1 1854/4885HPGD 205/4885KDM4E 2171/4885

“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.