SCHEMBL3900828

SCHEMBL3900828

CCOC(=O)c1c(C)cccc1Oc1ccnc2cc(OC)c(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.56
TGFBR1 P36897 5/20 0.56
PDGFRA P16234 3/20 0.50
KDR P35968 3/20 0.50
AURKA O14965 1/20 0.48
LCK P06239 1/20 0.48
MET P08581 1/20 0.48
TEK Q02763 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL3896025 0.84 SRC (0.69) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL22972011 0.80 EGFR (0.60) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL4019592 0.80 SRC (0.60) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL3905198 0.79 SRC (0.76) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL3894216 0.79 SRC (0.65) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL3895756 0.78 SRC (0.61) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL24724228 0.78 EGFR (0.56) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL3902528 0.77 SRC (0.60) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL3903870 0.77 SRC (0.58) SRCTGFBR1PDGFRAKDRAURKA
SCHEMBL3902130 0.77 SRC (0.60) SRCTGFBR1PDGFRAKDRAURKA

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 SRC 399/4885TGFBR1 2/4885PDGFRA 36/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 SRC 496/4885TGFBR1 2/4885PDGFRA 32/4885

“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.