SCHEMBL1258365

SCHEMBL1258365

O=C(Nc1cn2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)cc3)ccc2n1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.49
▸ FLT1 P17948 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ MET P08581 6/20 0.46
▸ FLT4 P35916 1/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.40
▸ RNF4 P78317 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL1259999 0.88 KDR (0.57) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1259886 0.88 KDR (0.49) KDRFLT1AURKAPDGFRBKIT
SCHEMBL12892680 0.80 KDR (0.50) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1259495 0.80 RNF4 (0.46) RNF4HTTALDH1A1
SCHEMBL14949677 0.79 KDR (0.58) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1258121 0.78 KDR (0.55) KDRFLT1AURKAPDGFRBKIT
SCHEMBL4289198 0.78 KDR (0.62) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1259926 0.78 RAB9A (0.51) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1258102 0.78 KDR (0.46) KDRFLT1AURKAPDGFRBKIT
SCHEMBL1258100 0.76 KDR (0.53) KDRFLT1AURKAPDGFRBKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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