SCHEMBL4339418

SCHEMBL4339418

COC(=O)C12CCC(c3nc(-c4cccc(C)n4)c(-c4ccc5nccnc5c4)[nH]3)(CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.49
MTOR P42345 1/20 0.45
MAPK14 Q16539 4/20 0.44
RIPK2 O43353 1/20 0.44
KDR P35968 1/20 0.44
ACVR1B P36896 1/20 0.44
PRKD1 Q15139 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
SCHEMBL4343678 0.90 TGFBR1 (0.51) TGFBR1MTORMAPK14RIPK2KDR
SCHEMBL4350435 0.90 TGFBR1 (0.49) TGFBR1MTORMAPK14RIPK2KDR
SCHEMBL4339282 0.89 TGFBR1 (0.62) TGFBR1MTORMAPK14RIPK2KDR
SCHEMBL4334304 0.84 TGFBR1 (0.45) TGFBR1MAPK14ACVR1B
SCHEMBL5138811 0.81 TGFBR1 (0.49) TGFBR1MTORMAPK14RIPK2KDR
SCHEMBL5138513 0.80 TGFBR1 (0.49) TGFBR1MTORMAPK14RIPK2KDR
SCHEMBL5314397 0.80 TGFBR1 (0.48) TGFBR1MAPK14RIPK2KDRACVR1B
SCHEMBL4344472 0.79 TGFBR1 (0.54) TGFBR1MTORMAPK14RIPK2KDR
SCHEMBL5139156 0.78 TGFBR1 (0.47) TGFBR1MAPK14RIPK2KDR
SCHEMBL4337360 0.77 TGFBR1 (0.81) TGFBR1MAPK14RIPK2ACVR1B

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 7 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

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 13/4885MTOR 2481/4885MAPK14 3383/4885

“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.