Sugi Predict

Sugi Predict / Compounds / SCHEMBL4350318

SCHEMBL4350318

SCHEMBL4350318

Cc1cccc(-c2nc(C34CCC(C(N)=O)(CC3)CC4)[nH]c2-c2ccc3ncn(C)c(=O)c3c2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 14/20 0.55
▸ ACVR1B P36896 3/20 0.43
▸ ACVR1 Q04771 2/20 0.38
▸ TGFBR2 P37173 2/20 0.37
▸ MAP3K20 Q9NYL2 1/20 0.37
▸ MAPK14 Q16539 8/20 0.37
▸ KDR P35968 4/20 0.37
▸ RIPK2 O43353 2/20 0.34
▸ GAK O14976 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ TGFB2 P61812 1/20 0.34
▸ MINK1 Q8N4C8 1/20 0.34
▸ COQ8A Q8NI60 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ RIPK3 Q9Y572 1/20 0.34

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 0.93 TGFBR1 (0.46) TGFBR1ACVR1BACVR1TGFBR2MAP3K20
SCHEMBL4334304 0.91 TGFBR1 (0.45) TGFBR1ACVR1BACVR1TGFBR2MAP3K20
SCHEMBL5200700 0.91 TGFBR1 (0.45) TGFBR1ACVR1BACVR1TGFBR2MAP3K20
SCHEMBL4339282 0.83 TGFBR1 (0.62) TGFBR1ACVR1BMAPK14KDRRIPK2
SCHEMBL30194941 0.78 TGFBR1 (0.86) TGFBR1ACVR1BTGFBR2MAPK14RIPK2
SCHEMBL376161 0.78 TGFBR1 (0.86) TGFBR1ACVR1BTGFBR2MAPK14RIPK2
SCHEMBL4336656 0.76 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL4343678 0.75 TGFBR1 (0.51) TGFBR1ACVR1BMAPK14KDRRIPK2
SCHEMBL4339418 0.73 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14KDRRIPK2
SCHEMBL4350435 0.73 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14KDRRIPK2

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 8 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
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 6/4885ACVR1 2/4885

“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.