SCHEMBL2802563

SCHEMBL2802563

Cc1nc(-c2nc3n(c2-c2ccc4ncnn4c2)CCC32CCN(S(C)(=O)=O)CC2)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.58
MAPK14 Q16539 11/20 0.58
TGFBR2 P37173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL2802051 0.93 TGFBR1 (0.60) TGFBR1MAPK14CHRM5
SCHEMBL2799154 0.88 TGFBR1 (0.47) TGFBR1MAPK14
SCHEMBL13232315 0.87 TGFBR1 (0.47) TGFBR1MAPK14
SCHEMBL2795968 0.83 TGFBR1 (0.45) TGFBR1MAPK14TGFBR2
SCHEMBL8229819 0.83 TGFBR1 (0.43) TGFBR1MAPK14
SCHEMBL2801317 0.82 TGFBR1 (0.45) TGFBR1MAPK14
SCHEMBL2800414 0.81 TGFBR1 (0.44) TGFBR1MAPK14
SCHEMBL8235620 0.79 TGFBR1 (0.49) TGFBR1MAPK14
SCHEMBL8236356 0.72 TGFBR1 (0.51) TGFBR1MAPK14
SCHEMBL8236655 0.71 TGFBR1 (0.50) TGFBR1MAPK14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 US disclosed
US-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 US disclosed
US-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 US disclosed
WO-2007076086-A2 TRICYCLIC SPIRO COMPOUNDS USEFUL AS TRANSFORMING GROWTH FACTOR MODULATORS BIOGEN IDEC MA INC (US) 2007-07-05 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-20100166819-A1 Transforming Growth Factor Modulators ACVR1, TGFBR1, ACVRL1 TGFBR1 2/4885MAPK14 927/4885TGFBR2 4/4885

“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.