SCHEMBL13629425

SCHEMBL13629425

Nc1nccn2c(C3CCC(C(=O)NC4CC4)CC3)nc(C3Cc4ccccc4N3)c12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.47
BTK Q06187 2/20 0.43
IGF1R P08069 7/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
RICTOR Q6R327 1/20 0.42
RPTOR Q8N122 1/20 0.42
MAPKAP1 Q9BPZ7 1/20 0.42
MLST8 Q9BVC4 1/20 0.42

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
SCHEMBL13629016 0.91 IGF1R (0.53) TNK2BTKIGF1R
SCHEMBL12648409 0.90 IGF1R (0.54) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL12648307 0.86 IGF1R (0.47) TNK2BTKIGF1R
SCHEMBL8396333 0.86 TNK2 (0.46) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL8406134 0.86 IGF1R (0.45) TNK2BTKIGF1R
SCHEMBL10242091 0.85 TNK2 (0.51) TNK2BTKIGF1RPIK3CAPIK3CB
SCHEMBL8402327 0.85 FGFR2 (0.52) TNK2IGF1R
SCHEMBL13629011 0.83 TNK2 (0.55) TNK2IGF1R
SCHEMBL12648255 0.83 TNK2 (0.54) TNK2IGF1R
SCHEMBL12648180 0.83 IGF1R (0.41) TNK2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 US 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-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 TNK2 144/4885BTK 194/4885IGF1R 67/4885

“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.