SCHEMBL3894117

SCHEMBL3894117

COc1cc2nccc(Oc3ccccc3C(=O)Nc3ccccc3)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.72
▸ SRC P12931 2/20 0.71
▸ TGFBR1 P36897 2/20 0.71
▸ PDGFRA P16234 5/20 0.68
▸ AXL P30530 2/20 0.64
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ KIT P10721 2/20 0.61
▸ AURKA O14965 1/20 0.60
▸ LCK P06239 1/20 0.60
▸ CSF1R P07333 1/20 0.60
▸ MET P08581 1/20 0.60
▸ BRAF P15056 1/20 0.60
▸ FLT1 P17948 1/20 0.60
▸ FGFR2 P21802 1/20 0.60
▸ FLT4 P35916 1/20 0.60
▸ TEK Q02763 1/20 0.60
▸ AURKB Q96GD4 1/20 0.60

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
SCHEMBL3897489 0.89 KDR (0.67) KDRSRCTGFBR1PDGFRAAXL
SCHEMBL3901030 0.86 SRC (0.76) KDRSRCTGFBR1PDGFRAAXL
SCHEMBL3895885 0.86 SRC (0.80) KDRSRCTGFBR1PDGFRAKIT
SCHEMBL2747336 0.85 KDR (0.85) KDRPDGFRAAXLCYP3A4CYP2D6
SCHEMBL2747247 0.84 KDR (1.00) KDRCYP3A4CYP2D6AURKALCK
SCHEMBL3227406 0.84 KDR (0.73) KDRPDGFRAAXLKITAURKA
SCHEMBL2747514 0.83 KDR (0.74) KDRPDGFRAAXLCYP3A4CYP2D6
SCHEMBL3894063 0.83 SRC (1.00) KDRSRCTGFBR1PDGFRAKIT
SCHEMBL1471393 0.82 KDR (0.71) KDRPDGFRAAXLKITAURKA
SCHEMBL4548871 0.82 KDR (0.71) KDRAXLCYP3A4CYP2D6AURKA

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 KDR 233/4885SRC 399/4885TGFBR1 2/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 KDR 356/4885SRC 496/4885TGFBR1 2/4885

“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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