SCHEMBL3894682

SCHEMBL3894682

COc1cc2c(Oc3cc(C)c(C)nc3-c3cccc(C)n3)ccnc2cc1OCCNCCO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
FGFR2 P21802 4/20 0.52
PDGFRB P09619 1/20 0.52
KIT P10721 1/20 0.52
PDGFRA P16234 1/20 0.52
SRC P12931 3/20 0.42
TGFBR1 P36897 3/20 0.42
AURKA O14965 4/20 0.41
LCK P06239 4/20 0.41
TEK Q02763 4/20 0.41
MET P08581 2/20 0.40
AURKB Q96GD4 2/20 0.40
LYN P07948 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL3896307 0.92 SRC (0.46) KDRSRCTGFBR1AURKALCK
SCHEMBL3892216 0.91 SRC (0.46) KDRFGFR2PDGFRBKITPDGFRA
SCHEMBL3896943 0.87 FGFR2 (0.52) KDRFGFR2PDGFRBKITPDGFRA
SCHEMBL3901872 0.87 SRC (0.51) PDGFRBPDGFRASRCTGFBR1
SCHEMBL3896680 0.86 SRC (0.44) PDGFRBPDGFRASRCTGFBR1
SCHEMBL3895992 0.84 SRC (0.44) KDRSRCTGFBR1AURKALCK
SCHEMBL3893724 0.83 SRC (0.43) FGFR2KITSRCTGFBR1
SCHEMBL3895724 0.82 MET (0.45) KDRFGFR2SRCTGFBR1MET
SCHEMBL3903240 0.82 TGFBR1 (0.49) KDRSRCTGFBR1MET
SCHEMBL6004761 0.82 TGFBR1 (0.49) KDRSRCTGFBR1MET

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 233/4885FGFR2 101/4885PDGFRB 16/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 KDR 356/4885FGFR2 114/4885PDGFRB 14/4885

“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.