SCHEMBL10242091

SCHEMBL10242091

Nc1nccn2c(C3CCN(C(=O)C4CC4)CC3)nc(C3Cc4ccccc4N3)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 13/20 0.51
IGF1R P08069 2/20 0.46
RAF1 P04049 1/20 0.44
SRC P12931 1/20 0.44
BTK Q06187 3/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
RICTOR Q6R327 1/20 0.41
RPTOR Q8N122 1/20 0.41
MAPKAP1 Q9BPZ7 1/20 0.41
MLST8 Q9BVC4 1/20 0.41

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
SCHEMBL10240965 0.97 TNK2 (0.48) TNK2IGF1RRAF1SRCBTK
SCHEMBL8399662 0.96 TNK2 (0.49) TNK2IGF1RRAF1SRCBTK
SCHEMBL10241497 0.90 RAF1 (0.47) TNK2IGF1RRAF1SRCBTK
SCHEMBL8399399 0.88 RAF1 (0.45) TNK2RAF1SRCBTK
SCHEMBL10240981 0.88 RAF1 (0.59) TNK2IGF1RRAF1SRCBTK
SCHEMBL8399681 0.87 BTK (0.44) TNK2IGF1RRAF1SRCBTK
SCHEMBL10242104 0.86 TNK2 (0.42) TNK2RAF1SRCBTK
SCHEMBL13629425 0.85 TNK2 (0.47) TNK2IGF1RBTKPIK3CAPIK3CB
SCHEMBL8402295 0.85 RAF1 (0.41) TNK2RAF1SRCBTK
SCHEMBL12648397 0.85 RAF1 (0.41) TNK2RAF1SRCBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114846-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-02-14 US disclosed
US-20100166776-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2010-07-01 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-20100166776-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS EGFR, ERBB2, RICTOR TNK2 10/4885IGF1R 17/4885RAF1 244/4885

“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.