SCHEMBL4902499

SCHEMBL4902499

FC(F)(F)c1nccc(-c2n[nH]cc2-c2ccc3nccnc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.46
AAK1 Q2M2I8 2/20 0.35
MAPK14 Q16539 3/20 0.33
MTOR P42345 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
TBK1 Q9UHD2 2/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL4904075 0.87 NPC1 (0.43) TGFBR1AAK1
SCHEMBL5138799 0.82 TGFBR1 (0.69) TGFBR1MAPK14MTORPIM1PIM3
SCHEMBL4899604 0.81 TGFBR1 (0.46) TGFBR1MAPK14MTORPIM1
SCHEMBL4894431 0.80 KDM4E (0.44)
SCHEMBL4906300 0.79 TGFBR1 (0.39) TGFBR1MAPK14MTORPIM1PIM3
SCHEMBL5188298 0.77 TGFBR1 (0.49) TGFBR1AAK1MAPK14MTORHDAC1
SCHEMBL5138415 0.76 TGFBR1 (0.67) TGFBR1MAPK14MTORALOX5APFEN1
SCHEMBL4898307 0.76 TGFBR1 (0.34) TGFBR1AAK1
SCHEMBL5138951 0.76 TGFBR1 (0.67) TGFBR1MAPK14MTOR
SCHEMBL5138443 0.75 TGFBR1 (0.46) TGFBR1MAPK14MTORPIK3CAPIM1

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
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 WO claimed
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US disclosed
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
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 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-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors TGFBR1, SMAD3, ALK TGFBR1 1/4885AAK1 2146/4885MAPK14 843/4885

“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.