SCHEMBL6938946

SCHEMBL6938946

CC(=O)NC[C@H]1CC[C@H](c2nc(-c3cc4ccccc4[nH]3)c3c(N)ncnn32)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.74
SRC P12931 2/20 0.74
KDR P35968 2/20 0.74
PDPK1 O15530 1/20 0.74
ABL1 P00519 1/20 0.74
EGFR P00533 1/20 0.74
INSR P06213 1/20 0.74
IGF1R P08069 1/20 0.74
MAP2K1 Q02750 1/20 0.74
RET P07949 2/20 0.55
RIPK2 O43353 1/20 0.55
NQO2 P16083 1/20 0.55
CSNK2A2 P19784 1/20 0.55
FECH P22830 1/20 0.55
ACVR1B P36896 1/20 0.55
TGFBR1 P36897 1/20 0.55
PIK3CA P42336 1/20 0.55
MTOR P42345 1/20 0.55
PIK3CG P48736 1/20 0.55
MAPK10 P53779 1/20 0.55

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
SCHEMBL15291450 0.90 RAF1 (0.61) RAF1SRCKDRPDPK1ABL1
SCHEMBL6941875 0.89 MTOR (0.60) RAF1SRCKDRPDPK1ABL1
SCHEMBL6951440 0.88 TNK2 (0.70) RAF1SRCKDRPDPK1ABL1
SCHEMBL6942213 0.88 MTOR (0.59) RAF1SRCKDRPDPK1ABL1
SCHEMBL6943868 0.88 MTOR (0.61) RAF1SRCKDRPDPK1ABL1
SCHEMBL6954898 0.87 KDR (0.70) RAF1SRCKDRPDPK1ABL1
SCHEMBL8184381 0.87 RAF1 (0.57) RAF1SRCKDRPDPK1ABL1
SCHEMBL6940863 0.87 RAF1 (0.57) RAF1SRCKDRPDPK1ABL1
SCHEMBL6943400 0.87 MTOR (0.75) RAF1SRCKDRPDPK1ABL1
SCHEMBL13962490 0.86 KDR (0.57) RAF1SRCKDRPDPK1ABL1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 US 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
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 US disclosed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 US disclosed
US-8314111-B2 Fused bicyclic motor inhibitors OSI Pharmaceuticals, LLC (US) 2012-11-20 US disclosed
US-8314111-B2 Fused bicyclic motor inhibitors OSI Pharmaceuticals, LLC (US) 2012-11-20 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-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-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-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
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 US 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-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 US disclosed
WO-2009008992-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MT0RC2 OSI PHARMACEUTICALS INC. (US) 2009-01-15 WO 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
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
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 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 RAF1 260/4885SRC 294/4885KDR 2434/4885
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 RAF1 70/4885SRC 15/4885KDR 112/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 RAF1 260/4885SRC 294/4885KDR 2434/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 RAF1 537/4885SRC 151/4885KDR 979/4885
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 RAF1 244/4885SRC 12/4885KDR 532/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 RAF1 88/4885SRC 361/4885KDR 1245/4885

“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.