SCHEMBL3897989

SCHEMBL3897989

COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(=O)NC2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 11/20 0.69
▸ MET P08581 5/20 0.69
▸ AURKA O14965 4/20 0.69
▸ KDR P35968 4/20 0.69
▸ TEK Q02763 4/20 0.69
▸ LCK P06239 3/20 0.69
▸ KIT P10721 2/20 0.66
▸ PDGFRA P16234 2/20 0.66
▸ ABL1 P00519 1/20 0.63
▸ LYN P07948 1/20 0.63
▸ FGR P09769 1/20 0.63
▸ AURKB Q96GD4 1/20 0.63
▸ RET P07949 2/20 0.58

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
SCHEMBL3892890 0.84 KDR (0.67) AXLMETAURKAKDRTEK
SCHEMBL3899101 0.84 KDR (0.66) AXLMETAURKAKDRTEK
SCHEMBL21432109 0.82 AXL (1.00) AXLTEKKITRET
SCHEMBL4548847 0.81 KDR (1.00) METAURKAKDRTEKLCK
SCHEMBL2748303 0.81 KDR (0.81) AXLMETAURKAKDRTEK
SCHEMBL30216608 0.80 AXL (1.00) AXLTEKKITPDGFRARET
SCHEMBL21408207 0.80 AXL (1.00) AXLTEKKITPDGFRARET
SCHEMBL21432108 0.80 AXL (1.00) AXLTEKKITRET
SCHEMBL3896063 0.80 SRC (0.78) AXLMETKDRPDGFRA
SCHEMBL3894634 0.80 SRC (0.64) METKDRKITPDGFRA

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 8 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-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 — — US disclosed
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-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 — — 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 AXL 388/4885MET 17/4885AURKA 808/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 AXL 438/4885MET 19/4885AURKA 968/4885

“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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