Sugi Predict

Sugi Predict / Compounds / SCHEMBL4339826

SCHEMBL4339826

SCHEMBL4339826

Cc1cccc(-c2[nH]c(C3CCN(S(=O)(=O)Cc4ccccc4)C3)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 14/20 0.50
▸ ACVR1B P36896 3/20 0.50
▸ MAPK14 Q16539 2/20 0.50
▸ RIPK2 O43353 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 1/20 0.41
▸ KIT P10721 1/20 0.40
▸ CHRM2 P08172 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 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
SCHEMBL4340990 0.95 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4340864 0.95 TGFBR1 (0.51) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4334381 0.89 TGFBR1 (0.50) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4352421 0.89 TGFBR1 (0.46) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4342101 0.88 TGFBR1 (0.55) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4337253 0.88 TGFBR1 (0.50) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4339211 0.88 TGFBR1 (0.50) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4346708 0.87 TGFBR1 (0.48) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4337490 0.87 TGFBR1 (0.56) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4341918 0.87 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14RIPK2TDP1

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 13/4885ACVR1B 6/4885MAPK14 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.