SCHEMBL4337475

SCHEMBL4337475

O=C(OCc1ccccc1)N1CCC(c2nc(-c3ccc4c(c3)OCO4)c(-c3cccc(C(F)(F)F)n3)[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.42
TRPC7 Q9HCX4 2/20 0.42
TGFBR1 P36897 6/20 0.41
ACVR1B P36896 3/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
RIPK2 O43353 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
PRKD3 O94806 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
TGFBR2 P37173 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39

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
SCHEMBL4337240 0.90 TGFBR1 (0.43) TRPC3TRPC7TGFBR1ACVR1BALDH1A1
SCHEMBL4339432 0.89 TGFBR1 (0.49) TRPC3TRPC7TGFBR1ACVR1BALDH1A1
SCHEMBL4338456 0.88 TGFBR1 (0.54) TRPC3TRPC7TGFBR1ACVR1BALDH1A1
SCHEMBL4342111 0.88 TGFBR1 (0.49) TRPC3TRPC7TGFBR1ACVR1BALDH1A1
SCHEMBL4343661 0.85 TGFBR1 (0.48) TRPC3TRPC7TGFBR1ACVR1BALDH1A1
SCHEMBL4332563 0.81 TGFBR1 (0.47) TGFBR1ACVR1BALDH1A1KDM4EHPGD
SCHEMBL6247053 0.81 TGFBR1 (0.47) TRPC3TRPC7TGFBR1ACVR1BALDH1A1
SCHEMBL4339635 0.80 TGFBR1 (0.52) TGFBR1ACVR1BALDH1A1KDM4EHPGD
SCHEMBL4343842 0.80 TGFBR1 (0.49) TGFBR1ACVR1BALDH1A1KDM4EHPGD
SCHEMBL4342278 0.79 TGFBR1 (0.50) TGFBR1ACVR1BALDH1A1KDM4EHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612094-B2 Tri-substituted heteroaryls and methods of making and using the same BIOGEN IDEC MA INC. (US) 2009-11-03 US claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 US claimed
CN-1658866-A Tri-substituted heteroaryls and methods of making and using the same BIOGEN INC (US) 2005-08-24 CN claimed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 EP claimed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO 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 (1 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-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same ALK, ACVR1, ACVRL1 TRPC3 1899/4885TRPC7 2510/4885TGFBR1 13/4885

“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.