SCHEMBL3514503

SCHEMBL3514503

CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)O)cn4n3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.66
BRAF P15056 3/20 0.60
PDGFRB P09619 2/20 0.54
KIT P10721 2/20 0.54
FLT1 P17948 2/20 0.54
FGFR1 P11362 1/20 0.54
PDGFRA P16234 1/20 0.54
FGFR3 P22607 1/20 0.54
TEK Q02763 1/20 0.54
AURKA O14965 1/20 0.53

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
SCHEMBL2517026 0.94 KDR (0.72) KDRBRAFPDGFRBKITFLT1
SCHEMBL12206032 0.92 KDR (0.64) KDRBRAFPDGFRBKITFLT1
SCHEMBL2515412 0.91 KDR (0.73) KDRBRAFPDGFRBKITFLT1
SCHEMBL2520863 0.90 KDR (0.58) KDRBRAFPDGFRBKITFLT1
SCHEMBL3486264 0.89 KDR (0.71) KDRBRAFPDGFRBKITFLT1
SCHEMBL2515464 0.88 KDR (0.71) KDRBRAFPDGFRBKITFLT1
SCHEMBL3486263 0.88 KDR (0.84) KDRBRAFPDGFRBKITFLT1
SCHEMBL2520813 0.87 KDR (0.56) KDRBRAFPDGFRBKITFLT1
SCHEMBL4032347 0.87 KDR (0.57) KDRBRAFPDGFRBKITFLT1
SCHEMBL2517126 0.83 KDR (0.68) KDRBRAFPDGFRBKITFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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 (3 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KDR 1/4885BRAF 4/4885PDGFRB 7/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KDR 1/4885BRAF 4/4885PDGFRB 7/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 KDR 1/4885BRAF 4/4885PDGFRB 7/4885

“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.