SCHEMBL4345537

SCHEMBL4345537

Cc1cccc(-c2[nH]c(C3CCC(NC(=O)OCc4ccccc4)CC3)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.49
ACVR1B P36896 3/20 0.49
MAPK14 Q16539 2/20 0.49
RIPK2 O43353 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PRKD3 O94806 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4343647 0.90 TGFBR1 (0.48) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL5320856 0.86 TGFBR1 (0.48) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4339432 0.86 TGFBR1 (0.49) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4347708 0.83 ALDH1A1 (0.41) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4343661 0.83 TGFBR1 (0.48) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4339351 0.83 TGFBR1 (0.51) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4332563 0.83 TGFBR1 (0.47) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4337297 0.80 ADORA2A (0.46) TGFBR1ACVR1BMAPK14RIPK2ADORA2A
SCHEMBL4341010 0.80 TGFBR1 (0.56) TGFBR1ACVR1BMAPK14RIPK2TDP1
SCHEMBL4347697 0.79 TGFBR1 (0.61) 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 14 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
CN-1658866-A Tri-substituted heteroaryls and methods of making and using the same BIOGEN INC (US) 2005-08-24 CN 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
US-7612094-B2 Tri-substituted heteroaryls and methods of making and using the same BIOGEN IDEC MA INC. (US) 2009-11-03 US 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
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 US disclosed
CN-1658866-A Tri-substituted heteroaryls and methods of making and using the same BIOGEN INC (US) 2005-08-24 CN disclosed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 EP disclosed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 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.