SCHEMBL593449

SCHEMBL593449

CC(=O)N1CCC(C2=C3C=NC=C[N+]3(N)C(c3cc4ccccc4[nH]3)=N2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
RAF1 P04049 1/20 0.38
SRC P12931 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CREBBP Q92793 1/20 0.37
CHEK1 O14757 1/20 0.37
AKR1C3 P42330 3/20 0.36
KDR P35968 2/20 0.35
RBP4 P02753 1/20 0.34
PDE10A Q9Y233 3/20 0.34
PDE4B Q07343 1/20 0.34
PRMT5 O14744 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
SCHEMBL595909 0.91 RAF1 (0.49) RAF1SRCCHEK1AKR1C3KDR
SCHEMBL594971 0.91 RAF1 (0.37) RAF1SRCCHEK1AKR1C3KDR
SCHEMBL593587 0.90 HTR2B (0.40) RAF1SRCAKR1C3KDRRBP4
SCHEMBL593130 0.89 KDR (0.36) PARP1RAF1SRCKDM4EBRD4
SCHEMBL593892 0.89 HTR2B (0.37) RAF1SRCALDH1A1KDRRBP4
SCHEMBL594808 0.88 USP2 (0.37) RAF1SRCALDH1A1KDRPDE4B
SCHEMBL594480 0.88 AKR1C3 (0.35) RAF1SRCALDH1A1AKR1C3KDR
SCHEMBL594493 0.87 TLR9 (0.38) PARP1RAF1SRCALDH1A1AKR1C3
SCHEMBL593466 0.87 RAF1 (0.36) PARP1RAF1SRCALDH1A1AKR1C3
SCHEMBL594436 0.87 LMNA (0.41) RAF1SRCAKR1C3KDRRBP4

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 21 patents — showing the first 20. 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
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
EP-2385053-A2 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI Pharmaceuticals, Inc. (US) 2011-11-09 EP disclosed
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors OSI Pharmaceuticals, LLC 2011-09-08 US disclosed
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2011-08-04 US disclosed
EP-1951724-B1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARM INC (US) 2011-04-27 EP disclosed
US-7923555-B2 Fused bicyclic mTor inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-04-12 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
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2010-04-22 US disclosed
US-7700594-B2 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. (US) 2010-04-20 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-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
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 (10 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 PARP1 2707/4885RAF1 260/4885SRC 294/4885
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 PARP1 3741/4885RAF1 70/4885SRC 15/4885
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PARP1 2707/4885RAF1 260/4885SRC 294/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PARP1 2707/4885RAF1 260/4885SRC 294/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 PARP1 348/4885RAF1 537/4885SRC 151/4885
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 PARP1 2806/4885RAF1 244/4885SRC 12/4885
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 PARP1 2806/4885RAF1 244/4885SRC 12/4885
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PARP1 2707/4885RAF1 260/4885SRC 294/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 PARP1 1926/4885RAF1 88/4885SRC 361/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 PARP1 2707/4885RAF1 260/4885SRC 294/4885

“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.