SCHEMBL3901083

SCHEMBL3901083

COc1cc2nccc(Oc3ccc(C)cc3Br)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.66
TGFBR1 P36897 4/20 0.66
PDGFRA P16234 2/20 0.60
PDGFRB P09619 1/20 0.60
EGFR P00533 1/20 0.57
KDR P35968 1/20 0.53
FGFR2 P21802 2/20 0.51

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
SCHEMBL3895983 0.86 SRC (0.69) SRCTGFBR1PDGFRAPDGFRBKDR
Hydrochloric Acid SCHEMBL3893940 0.85 SRC (0.67) SRCTGFBR1PDGFRAPDGFRBKDR
SCHEMBL24444526 0.84 SRC (0.66) SRCTGFBR1PDGFRAPDGFRBEGFR
SCHEMBL3908360 0.84 SRC (0.66) SRCTGFBR1PDGFRAPDGFRBEGFR
SCHEMBL3894212 0.84 SRC (0.66) SRCTGFBR1PDGFRAPDGFRBKDR
SCHEMBL15338419 0.84 SRC (0.70) SRCTGFBR1PDGFRAPDGFRBKDR
SCHEMBL3895310 0.82 SRC (0.82) SRCTGFBR1PDGFRAPDGFRBKDR
SCHEMBL3894594 0.81 SRC (0.65) SRCTGFBR1PDGFRAPDGFRBKDR
SCHEMBL14966986 0.80 PDGFRA (0.59) SRCTGFBR1PDGFRAPDGFRBEGFR
SCHEMBL12444104 0.80 PDGFRA (0.76) PDGFRAPDGFRBEGFRKDRFGFR2

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 9 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
CN-1688549-A Compound having TGF-beta inhibitory activity and medicinal composition containing the same KIRIN BREWERY (JP) 2005-10-26 CN 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.