SCHEMBL2516617

SCHEMBL2516617

CN(C(=O)O)c1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.69
BRAF P15056 3/20 0.66
PDGFRB P09619 1/20 0.66
KIT P10721 1/20 0.66
FGFR1 P11362 1/20 0.66
PDGFRA P16234 1/20 0.66
FLT1 P17948 1/20 0.66
FGFR3 P22607 1/20 0.66
TEK Q02763 1/20 0.66
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RET P07949 1/20 0.47

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
SCHEMBL2520991 0.91 KDR (0.69) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2523521 0.90 KDR (0.67) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2518692 0.87 KDR (0.65) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2519129 0.86 KDR (0.75) KDRBRAFPDGFRBKITFGFR1
SCHEMBL3486263 0.85 KDR (0.84) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2513777 0.85 KDR (0.76) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2514277 0.84 KDR (0.83) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2514369 0.84 KDR (0.80) KDRBRAFPDGFRBKITFGFR1
SCHEMBL2513810 0.84 KDR (0.79) KDRBRAFPDGFRBKITFGFR1
SCHEMBL12206497 0.84 KDR (0.82) KDRBRAFPDGFRBKITFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 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-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KDR 1/4885BRAF 4/4885PDGFRB 5/4885

“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.