SCHEMBL1708496

SCHEMBL1708496

CC(C)Nc1ncnc2cc(OCc3cccc(S(C)(=N)=O)c3)c(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
KDR P35968 1/20 0.41
EGFR P00533 11/20 0.39
KRAS P01116 2/20 0.39
SOS1 Q07889 2/20 0.39
LRRK2 Q5S007 4/20 0.38
RET P07949 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
GAK O14976 1/20 0.37
FBP1 P09467 1/20 0.37
ERBB2 P04626 2/20 0.36
LCK P06239 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK1 P28482 1/20 0.36
ERBB4 Q15303 1/20 0.36

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
SCHEMBL1841173 0.93 HTT (0.45) HTTLMNASMN1; SMN2CDK2EGFR
SCHEMBL1706631 0.91 CDK1 (0.38) HTTLMNACDK1CDK2KDR
SCHEMBL1707016 0.90 EGFR (0.38) HTTLMNAEGFRKRASSOS1
SCHEMBL1706654 0.89 HTT (0.46) HTTLMNASMN1; SMN2CDK1CDK2
SCHEMBL1706637 0.89 EGFR (0.50) HTTLMNAKDREGFRKRAS
SCHEMBL1707218 0.88 EGFR (0.40) HTTLMNASMN1; SMN2EGFRKRAS
SCHEMBL1707310 0.87 EGFR (0.42) HTTLMNAEGFRLRRK2RET
SCHEMBL1706565 0.87 EGFR (0.39) HTTLMNAKDREGFRLRRK2
SCHEMBL1708349 0.87 EGFR (0.39) HTTLMNAKDREGFRLRRK2
SCHEMBL1708550 0.86 HTT (0.44) HTTLMNASMN1; SMN2CDK1CDK2

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 8 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
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 HTT 3954/4885LMNA 4882/4885SMN1; SMN2 3891/4885

“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.