SCHEMBL5139747

SCHEMBL5139747

Nc1ccnc2ccc(-c3c[nH]nc3-c3ccccn3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.40
NCF1 P14598 1/20 0.40
NR4A2 P43354 1/20 0.40
MAPK14 Q16539 3/20 0.38
DYRK1B Q9Y463 1/20 0.38
ACVR1 Q04771 1/20 0.37
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
PIK3CA P42336 3/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CG P48736 2/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL5138195 0.85 MAP4K4 (0.52) TGFBR1
SCHEMBL5138443 0.82 TGFBR1 (0.46) TGFBR1MAPK14PIK3CAPIK3CDPIK3CG
SCHEMBL3858025 0.81 TGFBR1 (0.43) TGFBR1MAPK14DYRK1BACVR1PIK3CA
SCHEMBL5138250 0.80 NPC1 (0.51) TGFBR1MAPK14KDRCLK2CLK3
SCHEMBL5139684 0.79 ACVR1 (0.57) TGFBR1ACVR1PIK3CDPIM1
SCHEMBL5139502 0.78 MAP4K4 (0.42) TGFBR1DYRK1A
SCHEMBL3850901 0.78 DYRK1A (0.41) TGFBR1MAPK14PIK3CAPIK3CDPIK3CG
SCHEMBL27628470 0.78 CHEK2 (0.41) TGFBR1DYRK1ATGFBR2
Hydrochloric Acid SCHEMBL3853873 0.77 DYRK1A (0.40) TGFBR1MAPK14PIK3CAPIK3CDPIK3CG
SCHEMBL5200922 0.77 TDO2 (0.47) TGFBR1MAPK14PIK3CAPIK3CDPIK3CG

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
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
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-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 TGFBR1 26/4885NCF1 2836/4885NR4A2 1013/4885

“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.