SCHEMBL1259285

SCHEMBL1259285

NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ AURKA O14965 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ ABL1 P00519 6/20 0.45
▸ MET P08581 5/20 0.41
▸ FLT4 P35916 1/20 0.40
▸ LRRK2 Q5S007 4/20 0.40
▸ BRAF P15056 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35

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
SCHEMBL1260248 0.91 ABL1 (0.47) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1260496 0.88 KDR (0.49) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1259174 0.85 KDR (0.48) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1258102 0.84 KDR (0.46) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1258960 0.83 KDR (0.53) KDRFLT1AURKAPDGFRBKIT
Hydrochloric Acid SCHEMBL1260026 0.82 KDR (0.53) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1259283 0.77 KDR (0.58) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1259741 0.76 KDR (0.55) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1260246 0.76 KDR (0.51) KDRFLT1AURKAPDGFRBKIT
SCHEMBL139907 0.75 KDR (0.62) KDRABL1METBRAFNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 KDR 966/4885FLT1 1499/4885AURKA 137/4885

“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.

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