SCHEMBL5138799

SCHEMBL5138799

FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccc3nccnc3c2)n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.69
MTOR P42345 1/20 0.39
MAPK14 Q16539 1/20 0.38
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
NOTUM Q6P988 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
NT5E P21589 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
SCHEMBL4902499 0.82 TGFBR1 (0.46) TGFBR1MTORMAPK14PIM1PIM3
SCHEMBL18005304 0.82 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL5138951 0.82 TGFBR1 (0.67) TGFBR1MTORMAPK14
SCHEMBL5138443 0.79 TGFBR1 (0.46) TGFBR1MTORMAPK14PIM1
SCHEMBL5138816 0.77 KDM4E (0.43) TGFBR1MAPK14
SCHEMBL4899604 0.76 TGFBR1 (0.46) TGFBR1MTORMAPK14PIM1
SCHEMBL23389747 0.76 TGFBR1 (0.43) TGFBR1PIM1PIM3PIM2NOTUM
SCHEMBL29796650 0.76 TGFBR1 (0.43) TGFBR1PIM1PIM3PIM2NOTUM
SCHEMBL19806293 0.76 TGFBR1 (0.50) TGFBR1GABRA1GABRG2GABRB3GABRA3
SCHEMBL5138415 0.75 TGFBR1 (0.67) TGFBR1MTORMAPK14PIM1PIM3

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 9 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
CN-1770980-A Pyrazoles and methods of making and using the same BIOGEN IDEC INC (US) 2006-05-10 CN 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 26/4885MTOR 1272/4885MAPK14 1842/4885

“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.