SCHEMBL3486824

SCHEMBL3486824

N#CC1(c2cccc(C(=O)Nc3cccc(Oc4ccc5nc(NC(=O)c6cocn6)cn5n4)c3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.54
BRAF P15056 2/20 0.54
AURKA O14965 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FLT1 P17948 1/20 0.46

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
SCHEMBL2516767 0.89 KDR (0.56) KDRBRAFAURKAPDGFRBKIT
SCHEMBL3486517 0.89 KDR (0.56) KDRBRAFAURKAPDGFRBKIT
SCHEMBL3486396 0.89 KDR (0.62) KDRBRAFAURKAPDGFRBKIT
SCHEMBL3485706 0.89 KDR (0.56) KDRBRAFAURKAPDGFRBKIT
SCHEMBL3485891 0.88 KDR (0.54) KDRBRAFAURKAPDGFRBKIT
SCHEMBL2517767 0.87 KDR (0.69) KDRBRAFAURKAPDGFRBKIT
SCHEMBL2520808 0.87 KDR (0.71) KDRBRAFAURKAPDGFRBKIT
SCHEMBL2516537 0.87 KDR (0.56) KDRBRAFAURKAPDGFRBKIT
SCHEMBL2517140 0.86 KDR (0.58) KDRBRAFAURKAPDGFRBKIT
SCHEMBL2516566 0.86 KDR (0.58) KDRBRAFAURKAPDGFRBKIT

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 KDR 1805/4885BRAF 801/4885AURKA 1922/4885

“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.