SCHEMBL3900719

SCHEMBL3900719

CCOC(=O)C=Cc1cc2nccc(Oc3cc4ccccc4nc3C)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.42
▸ AURKA O14965 6/20 0.42
▸ LCK P06239 6/20 0.42
▸ TEK Q02763 6/20 0.42
▸ MET P08581 6/20 0.42
▸ AURKB Q96GD4 5/20 0.42
▸ SRC P12931 5/20 0.42
▸ TGFBR1 P36897 5/20 0.42
▸ LYN P07948 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ FLT1 P17948 1/20 0.39

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
SCHEMBL3900717 1.00 KDR (0.42) KDRAURKALCKTEKMET
SCHEMBL13605197 0.81 SRC (0.48) KDRAURKALCKTEKMET
SCHEMBL3894134 0.81 SRC (0.48) KDRAURKALCKTEKMET
SCHEMBL3895343 0.79 SRC (0.43) KDRAURKALCKTEKMET
SCHEMBL3891602 0.79 PDGFRB (0.54) SRCTGFBR1
SCHEMBL3895904 0.78 SRC (0.53) KDRAURKALCKTEKMET
SCHEMBL30634255 0.77 PDGFRB (0.51) KDM4EALDH1A1GAACCNCCDK8
SCHEMBL3898217 0.77 SRC (0.47) KDRSRCTGFBR1KDM4EALDH1A1
SCHEMBL3895802 0.77 KDR (0.51) KDRAURKALCKTEKMET
SCHEMBL13605196 0.77 SRC (0.50) KDRAURKALCKTEKMET

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-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 — — US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 — — US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 — — US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 — — 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 (2 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 KDR 233/4885AURKA 808/4885LCK 1037/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 KDR 356/4885AURKA 968/4885LCK 1007/4885

“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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