SCHEMBL1552360

SCHEMBL1552360

O=C(O)NCC1CCC(c2nc(I)c3c(Cl)nccn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.43
PDPK1 O15530 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
INSR P06213 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
MAP2K1 Q02750 1/20 0.43
TNK2 Q07912 16/20 0.42
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
RICTOR Q6R327 1/20 0.37
RPTOR Q8N122 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
BTK Q06187 1/20 0.34

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
SCHEMBL1552357 1.00 IGF1R (0.43) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL3172083 0.87 IGF1R (0.53) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL3172098 0.87 IGF1R (0.53) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL1129225 0.84 TNK2 (0.62) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL402101 0.83 TNK2 (0.46) IGF1RTNK2PIK3CAPIK3CBMTOR
SCHEMBL400470 0.83 TNK2 (0.46) IGF1RTNK2PIK3CAPIK3CBMTOR
SCHEMBL3179997 0.79 PDE1C (0.40) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL3179988 0.79 PDE1C (0.40) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL398312 0.79 TNK2 (0.46) IGF1RTNK2
SCHEMBL1129140 0.78 TNK2 (0.51) IGF1RTNK2PIK3CAPIK3CBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325186-B1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS LLC (US) 2014-10-08 EP disclosed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 US disclosed
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
EP-2385053-B1 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI PHARM INC (US) 2013-10-02 EP disclosed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP 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
EP-1951724-B1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARM INC (US) 2011-04-27 EP disclosed
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2010-04-22 US disclosed
US-7651687-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 US disclosed
US-20070280928-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. 2007-12-06 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 (6 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-20090163468-A1 Fused Bicyclic mTor Inhibitors MTOR, RICTOR, MAPKAP1 IGF1R 1033/4885PDPK1 72/4885ABL1 430/4885
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
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 IGF1R 1033/4885PDPK1 72/4885ABL1 430/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 IGF1R 1033/4885PDPK1 72/4885ABL1 430/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 IGF1R 67/4885PDPK1 9/4885ABL1 675/4885
US-20070280928-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 IGF1R 17/4885PDPK1 158/4885ABL1 132/4885

“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.