SCHEMBL11980643

SCHEMBL11980643

CC(=O)NC[C@H]1CC[C@H](c2nc(-c3cc4cccc(-c5cccc(O)c5)c4[nH]3)c3c(N)ncnn32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.57
PDPK1 O15530 1/20 0.57
ABL1 P00519 1/20 0.57
EGFR P00533 1/20 0.57
RAF1 P04049 1/20 0.57
INSR P06213 1/20 0.57
SRC P12931 1/20 0.57
KDR P35968 1/20 0.57
MAP2K1 Q02750 1/20 0.57
MTOR P42345 4/20 0.56
RICTOR Q6R327 3/20 0.56
RPTOR Q8N122 3/20 0.56
MAPKAP1 Q9BPZ7 3/20 0.56
MLST8 Q9BVC4 3/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CG P48736 2/20 0.56
PRKDC P78527 2/20 0.56
RIPK2 O43353 1/20 0.56
RET P07949 1/20 0.56
NQO2 P16083 1/20 0.56

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
SCHEMBL6941922 0.92 MTOR (0.59) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6941875 0.88 MTOR (0.60) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6942213 0.88 MTOR (0.59) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6943868 0.88 MTOR (0.61) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6943400 0.86 MTOR (0.75) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6943460 0.85 MTOR (0.57) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6943268 0.85 MTOR (0.65) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6938946 0.85 RAF1 (0.74) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6951464 0.84 MTOR (0.64) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL6942444 0.80 MTOR (0.75) IGF1RMTORRICTORRPTORMAPKAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586546-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) 2013-11-19 US disclosed
US-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors OSI PHARMACEUTICALS, LLC. 2012-08-16 US disclosed
US-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors OSI PHARMACEUTICALS, LLC. 2012-08-16 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-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors EGFR, ERBB2, MTOR IGF1R 48/4885PDPK1 52/4885ABL1 22/4885

“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.