SCHEMBL2289246

SCHEMBL2289246

COc1cc(O)cc(Nc2ccnc3ccc(Br)cc23)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 13/20 0.65
RIPK2 O43353 10/20 0.65
COQ8A Q8NI60 9/20 0.65
NLK Q9UBE8 9/20 0.65
EPHB6 O15197 3/20 0.65
ABL1 P00519 3/20 0.65
ACVR1 Q04771 2/20 0.65
STK16 O75716 1/20 0.65
AAK1 Q2M2I8 1/20 0.65
KDR P35968 1/20 0.52
EGFR P00533 2/20 0.50
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
ERBB2 P04626 1/20 0.47
PTK6 Q13882 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
HTT P42858 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
LCK P06239 2/20 0.45
EPHA1 P21709 2/20 0.45

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
SCHEMBL30880678 1.00 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
Hydrochloric Acid SCHEMBL2291538 0.99 GAK (0.64) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880616 0.91 GAK (0.73) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL14035048 0.87 RIPK2 (0.56) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880714 0.86 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL14035007 0.86 GAK (0.54) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880470 0.86 GAK (0.65) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL2292717 0.84 GAK (0.60) GAKRIPK2COQ8ANLKEPHB6
SCHEMBL30880543 0.84 HTT (0.66) GAKRIPK2COQ8ANLKKDR
SCHEMBL30880591 0.81 GAK (0.59) GAKRIPK2COQ8ANLKEPHB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003787-B2 Sulphoximine-substituted quinoline and quinazoline derivatives as kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-23 US disclosed
US-8003787-B2 Sulphoximine-substituted quinoline and quinazoline derivatives as kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-23 US disclosed
US-8003787-B2 Sulphoximine-substituted quinoline and quinazoline derivatives as kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2011-08-23 US disclosed
EP-2152672-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-02-17 EP disclosed
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER HEALTHCARE LLC (DE) 2009-09-10 US disclosed
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER HEALTHCARE LLC (DE) 2009-09-10 US disclosed
US-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER HEALTHCARE LLC (DE) 2009-09-10 US disclosed
WO-2008141843-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-27 WO disclosed
WO-2008141843-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINAZOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-27 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-20090226377-A1 NOVEL SULPHOXIMINE-SUBSTITUTED QUINOLINE AND QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MAP4K2, MAP3K20, MAP3K2 GAK 231/4885RIPK2 349/4885COQ8A 19/4885

“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.