SCHEMBL3671088

SCHEMBL3671088

Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 1.00
PDGFRB P09619 6/20 1.00
FLT1 P17948 6/20 1.00
KIT P10721 5/20 1.00
AURKA O14965 4/20 0.77
BRAF P15056 3/20 0.60
MET P08581 1/20 0.54
ABL1 P00519 1/20 0.50
CSF1R P07333 1/20 0.50
YES1 P07947 1/20 0.50
RET P07949 1/20 0.50
BCR P11274 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT4 P35916 1/20 0.50
ABL2 P42684 1/20 0.50
DDR1 Q08345 1/20 0.50
DDR2 Q16832 1/20 0.50
AAK1 Q2M2I8 1/20 0.50
Q6ZSR9 Q6ZSR9 1/20 0.50
NEK1 Q96PY6 1/20 0.50

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
SCHEMBL4286214 0.90 KDR (0.82) KDRPDGFRBFLT1KITAURKA
SCHEMBL4293702 0.87 KDR (0.77) KDRPDGFRBFLT1KITAURKA
SCHEMBL3673832 0.87 KDR (1.00) KDRPDGFRBFLT1KITAURKA
SCHEMBL4293310 0.85 KDR (0.73) KDRPDGFRBFLT1KITAURKA
SCHEMBL2859622 0.84 KDR (0.72) KDRPDGFRBFLT1KITAURKA
SCHEMBL4284219 0.82 KDR (0.70) KDRPDGFRBFLT1KITAURKA
SCHEMBL4285542 0.81 KDR (0.69) KDRPDGFRBFLT1KITAURKA
SCHEMBL2518330 0.80 KDR (1.00) KDRPDGFRBFLT1KITAURKA
SCHEMBL2853887 0.78 KDR (0.64) KDRPDGFRBFLT1KITBRAF
SCHEMBL2853616 0.77 KDR (0.64) KDRPDGFRBFLT1KITAURKA

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
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US claimed
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 2311/4885PDGFRB 3323/4885FLT1 2409/4885

“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.