SCHEMBL4346463

SCHEMBL4346463

O=C(OCc1ccccc1)N1CCCC(c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)n2O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
TGFBR1 P36897 4/20 0.41
ACVR1B P36896 2/20 0.41
NOS2 P35228 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
EDNRA P25101 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
RIPK2 O43353 1/20 0.38
PRKD3 O94806 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4342038 0.92 GRIN2B (0.43) ALDH1A1TSHRTGFBR1ACVR1BEDNRA
SCHEMBL4342554 0.90 ALDH1A1 (0.42) ALDH1A1TSHRTGFBR1ACVR1BJAK2
SCHEMBL4339463 0.86 ALDH1A1 (0.41) ALDH1A1TSHRTGFBR1ACVR1BEDNRA
SCHEMBL6247053 0.85 TGFBR1 (0.47) ALDH1A1TSHRTGFBR1ACVR1BEDNRA
SCHEMBL6245229 0.85 TGFBR1 (0.42) ALDH1A1TSHRTGFBR1ACVR1BJAK2
SCHEMBL4339635 0.84 TGFBR1 (0.52) ALDH1A1TSHRTGFBR1ACVR1BNOS2
SCHEMBL5200051 0.81 TRPC3 (0.42) ALDH1A1TSHRTGFBR1ACVR1BEDNRA
SCHEMBL4338456 0.77 TGFBR1 (0.54) ALDH1A1TSHRTGFBR1ACVR1BKDM4E
SCHEMBL4332682 0.77 TRPC3 (0.41) ALDH1A1TSHRJAK2JAK1TYK2
SCHEMBL4343582 0.77 TRPC3 (0.42) ALDH1A1TSHRTGFBR1EDNRAKDM4E

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 ALDH1A1 113/4885TSHR 1682/4885TGFBR1 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.