SCHEMBL3898587

SCHEMBL3898587

COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCC(O)CN1CCC(CO)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.65
TGFBR1 P36897 4/20 0.65
ABCB1 P08183 8/20 0.51
FGFR2 P21802 3/20 0.46
KMT2A Q03164 2/20 0.45
AURKA O14965 1/20 0.45
MEN1 O00255 1/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
MET P08581 1/20 0.42

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
SCHEMBL13605090 0.91 SRC (0.68) SRCTGFBR1ABCB1FGFR2AURKA
SCHEMBL13605084 0.90 SRC (0.63) SRCTGFBR1ABCB1FGFR2AURKA
SCHEMBL13605092 0.90 SRC (0.69) SRCTGFBR1ABCB1FGFR2AURKA
SCHEMBL13605088 0.90 SRC (0.62) SRCTGFBR1ABCB1FGFR2AURKA
SCHEMBL3898541 0.89 SRC (0.68) SRCTGFBR1ABCB1FGFR2KMT2A
SCHEMBL3891612 0.88 SRC (0.69) SRCTGFBR1FGFR2AURKAMET
SCHEMBL3892818 0.88 SRC (0.68) SRCTGFBR1FGFR2AURKAMET
SCHEMBL3904875 0.87 SRC (0.67) SRCTGFBR1FGFR2AURKAMET
SCHEMBL3961096 0.85 SRC (0.60) SRCTGFBR1ABCB1FGFR2AURKA
SCHEMBL3971843 0.85 SRC (0.56) SRCTGFBR1ABCB1FGFR2AURKA

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 2/4885ABCB1 1055/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 SRC 496/4885TGFBR1 2/4885ABCB1 1092/4885

“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.