SCHEMBL4337372

SCHEMBL4337372

CONC(=O)C12CCC(c3nc(-c4cccc(C)n4)c(-c4ccc5c(c4)OCO5)[nH]3)(CC1)CC2

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.69
MAPK14 Q16539 3/20 0.46
RIPK2 O43353 1/20 0.46
ACVR1B P36896 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSK3B P49841 1/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL4347711 0.91 TGFBR1 (0.70) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL376161 0.89 TGFBR1 (0.86) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL30194941 0.89 TGFBR1 (0.86) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL375627 0.88 TGFBR1 (0.73) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL15678349 0.88 TGFBR1 (0.73) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4339309 0.85 TGFBR1 (0.82) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4337360 0.84 TGFBR1 (0.81) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4340190 0.84 TGFBR1 (0.81) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL19442173 0.82 TGFBR1 (0.64) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4339710 0.82 TGFBR1 (1.00) TGFBR1MAPK14RIPK2ACVR1BTDP1

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 13/4885MAPK14 3383/4885RIPK2 1699/4885

“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.