SCHEMBL4286956

SCHEMBL4286956

Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(O)c(C(F)(F)F)c4)c(F)c3)c21

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.75
AURKA O14965 1/20 0.75
PDGFRB P09619 1/20 0.75
KIT P10721 1/20 0.75
BRAF P15056 1/20 0.75
PDGFRA P16234 1/20 0.75
FLT1 P17948 1/20 0.75
TEK Q02763 1/20 0.75
PTK2 Q05397 1/20 0.75
FGFR1 P11362 4/20 0.65

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
SCHEMBL4287519 0.91 KDR (0.82) KDRAURKAPDGFRBKITBRAF
SCHEMBL4282976 0.86 KDR (0.69) KDRAURKAPDGFRBKITBRAF
SCHEMBL4283152 0.86 KDR (0.82) KDRAURKAPDGFRBKITBRAF
SCHEMBL4282055 0.86 KDR (1.00) KDRAURKAPDGFRBKITBRAF
Hydrochloric Acid SCHEMBL4290598 0.85 KDR (0.98) KDRAURKAPDGFRBKITBRAF
Bromide SCHEMBL4281535 0.85 KDR (0.98) KDRAURKAPDGFRBKITBRAF
SCHEMBL4279674 0.84 KDR (0.85) KDRAURKAPDGFRBKITBRAF
SCHEMBL4283791 0.84 KDR (0.81) KDRAURKAPDGFRBKITBRAF
SCHEMBL4285342 0.83 KDR (0.94) KDRAURKAPDGFRBKITBRAF
SCHEMBL4282260 0.83 KDR (0.80) KDRAURKAPDGFRBKITBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 KDR 2/4885AURKA 186/4885PDGFRB 6/4885

“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.