SCHEMBL3897600

SCHEMBL3897600

COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCC1CO1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.78
TGFBR1 P36897 5/20 0.78
FLT3 P36888 1/20 0.50
PDGFRA P16234 4/20 0.44
KIT P10721 2/20 0.44
MET P08581 5/20 0.44
KDR P35968 4/20 0.43
FGFR2 P21802 1/20 0.43
AURKA O14965 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
LYN P07948 1/20 0.43
FGR P09769 1/20 0.43
TEK Q02763 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL3966321 0.90 SRC (0.63) SRCTGFBR1FLT3PDGFRAKIT
SCHEMBL3903245 0.88 SRC (1.00) SRCTGFBR1PDGFRAKITMET
SCHEMBL6142290 0.88 SRC (0.60) SRCTGFBR1FLT3PDGFRAKIT
SCHEMBL3961096 0.88 SRC (0.60) SRCTGFBR1FLT3KITMET
Hydrochloric Acid SCHEMBL3896851 0.87 SRC (1.00) SRCTGFBR1PDGFRAKITMET
SCHEMBL3904557 0.86 SRC (0.84) SRCTGFBR1PDGFRAKITMET
SCHEMBL3965284 0.86 SRC (0.57) SRCTGFBR1FLT3MET
SCHEMBL3971843 0.85 SRC (0.56) SRCTGFBR1FLT3METFGFR2
SCHEMBL3903938 0.84 SRC (0.84) SRCTGFBR1FLT3PDGFRAKIT
SCHEMBL3904096 0.83 SRC (0.82) SRCTGFBR1FLT3PDGFRAMET

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 2/4885FLT3 226/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 SRC 496/4885TGFBR1 2/4885FLT3 406/4885

“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.