SCHEMBL3673227

SCHEMBL3673227

Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)cc(NC(=O)c4cc(C)nn4C)c3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
AURKA O14965 2/20 0.42
PDGFRB P09619 2/20 0.42
KIT P10721 2/20 0.42
FLT1 P17948 2/20 0.42
POLB P06746 2/20 0.41
SLC22A12 Q96S37 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
GCK P35557 1/20 0.40
BRD4 O60885 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.39
BRAF P15056 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL3668920 0.91 PDGFRB (0.53) KDRMEN1KMT2AAURKAPDGFRB
SCHEMBL3677709 0.86 KDR (0.48) KDRMEN1KMT2AAURKAPDGFRB
SCHEMBL3669507 0.86 KDR (0.52) KDRMEN1KMT2AAURKAPDGFRB
SCHEMBL3672096 0.85 KDR (0.49) KDRMEN1KMT2AAURKAPDGFRB
SCHEMBL4286386 0.81 KDR (0.50) KDRMEN1KMT2AAURKAPDGFRB
SCHEMBL3677095 0.81 KDR (0.55) KDRMEN1KMT2AAURKAPDGFRB
SCHEMBL3676031 0.79 KDR (0.52) KDRMEN1KMT2AAURKAPDGFRB
SCHEMBL13636105 0.77 KDR (0.47) KDRAURKAPDGFRBKITFLT1
SCHEMBL3808779 0.77 KDR (0.47) KDRMEN1KMT2AAURKAPDGFRB
SCHEMBL4314968 0.74 GFER (0.58) MEN1KMT2APOLBSLC22A12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885MEN1 604/4885KMT2A 1404/4885

“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.