SCHEMBL4334304

SCHEMBL4334304

COC(=O)C12CCC(c3nc(-c4cccc(C)n4)c(-c4ccc5ncn(C)c(=O)c5c4)[nH]3)(CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.45
ACVR1B P36896 1/20 0.42
KDM4E B2RXH2 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ACVR1 Q04771 2/20 0.37
TGFBR2 P37173 1/20 0.36
MAP3K20 Q9NYL2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK14 Q16539 7/20 0.35

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
SCHEMBL4339257 0.91 TGFBR1 (0.46) TGFBR1ACVR1BKDM4EACVR1TGFBR2
SCHEMBL5200700 0.91 TGFBR1 (0.45) TGFBR1ACVR1BKDM4EACVR1TGFBR2
SCHEMBL4350318 0.91 TGFBR1 (0.55) TGFBR1ACVR1BACVR1TGFBR2MAP3K20
SCHEMBL4339418 0.84 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14
SCHEMBL4343678 0.74 TGFBR1 (0.51) TGFBR1ACVR1BMAPK14
SCHEMBL5138811 0.74 TGFBR1 (0.49) TGFBR1ACVR1BADORA2AADORA1TGFBR2
SCHEMBL4350435 0.74 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14
SCHEMBL4339282 0.74 TGFBR1 (0.62) TGFBR1ACVR1BMAPK14
SCHEMBL5138513 0.74 TGFBR1 (0.49) TGFBR1ACVR1BKDM4EADORA2AADORA1
SCHEMBL5314397 0.73 TGFBR1 (0.48) TGFBR1ACVR1BKDM4EADORA2AADORA1

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-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
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 TGFBR1 13/4885ACVR1B 6/4885KDM4E 51/4885

“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.