SCHEMBL4337363

SCHEMBL4337363

CCc1cccc(-c2[nH]c(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.47
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK14 Q16539 2/20 0.41
ACVR1B P36896 2/20 0.41
RIPK2 O43353 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIT P10721 1/20 0.40
CHRM2 P08172 1/20 0.40
USP2 O75604 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4340864 0.91 TGFBR1 (0.51) TGFBR1LMNAMEN1KMT2AMAPK14
SCHEMBL4339799 0.90 LMNA (0.44) TGFBR1LMNAMEN1KMT2AMAPK14
SCHEMBL4337163 0.88 TGFBR1 (0.53) TGFBR1LMNAMEN1KMT2AMAPK14
SCHEMBL4339826 0.86 TGFBR1 (0.50) TGFBR1LMNAMEN1KMT2AMAPK14
SCHEMBL5201598 0.85 TGFBR1 (0.53) TGFBR1LMNAMEN1KMT2AMAPK14
SCHEMBL4334381 0.85 TGFBR1 (0.50) TGFBR1LMNAMAPK14ACVR1BRIPK2
SCHEMBL4350421 0.84 TGFBR1 (0.49) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4352421 0.84 TGFBR1 (0.46) TGFBR1LMNAMEN1KMT2AMAPK14
SCHEMBL4337490 0.84 TGFBR1 (0.56) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4339840 0.84 TGFBR1 (0.52) TGFBR1LMNAMEN1KMT2AMAPK14

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 13/4885LMNA 1813/4885MEN1 3224/4885

“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.