SCHEMBL10242666

SCHEMBL10242666

COC(=O)[C@H]1CC[C@@H](c2nc(C3Cc4cccc(Cl)c4N3)c3c(N)nccn32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 14/20 0.53
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
PRKDC P78527 1/20 0.49
RICTOR Q6R327 1/20 0.49
RPTOR Q8N122 1/20 0.49
MAPKAP1 Q9BPZ7 1/20 0.49
MLST8 Q9BVC4 1/20 0.49
IGF1R P08069 4/20 0.42
BTK Q06187 1/20 0.40
PDPK1 O15530 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
INSR P06213 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
MAP2K1 Q02750 1/20 0.40

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
SCHEMBL8401090 0.91 TNK2 (0.53) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL8404282 0.90 PIK3CA (0.61) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL8402326 0.90 PIK3CA (0.61) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL8396567 0.89 PIK3CA (0.50) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL8402258 0.88 PIK3CA (0.46) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL12648416 0.85 TNK2 (0.53) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL8404219 0.84 PIK3CA (0.51) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL12648246 0.84 TNK2 (0.49) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL8406159 0.82 TNK2 (0.39) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL13629022 0.79 PIK3CA (0.49) TNK2PIK3CAPIK3CBMTORPIK3CG

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 10/4885PIK3CA 57/4885PIK3CB 350/4885

“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.