SCHEMBL5200243

SCHEMBL5200243

COC(=O)C12CCC(n3cc(-c4ccc5c(c4)OCO5)c(-c4cccc(C)n4)n3)(CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.49
MAPK14 Q16539 3/20 0.41
RIPK2 O43353 1/20 0.41
ACVR1B P36896 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL5138602 0.82 TGFBR1 (0.42) TGFBR1
SCHEMBL5201004 0.77 TGFBR1 (0.54) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4337360 0.77 TGFBR1 (0.81) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL3240693 0.76 TGFBR1 (0.59) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5139011 0.73 TGFBR1 (0.43) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5930811 0.73 TGFBR1 (0.41) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL27628468 0.72 TGFBR1 (0.44) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5930712 0.71 TGFBR1 (0.48) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5137965 0.71 TGFBR1 (0.47) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5138791 0.70 TGFBR1 (0.46) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US claimed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP claimed
JP-2006517592-A 2006-07-27 JP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP claimed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 WO claimed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US disclosed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP disclosed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP disclosed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 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-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 TGFBR1 26/4885MAPK14 1842/4885RIPK2 397/4885

“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.