SCHEMBL593545

SCHEMBL593545

N[N+]12C=CN=CC1=C(C1=CC=C1)N=C2c1ccc2[nH]ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
BRD4 O60885 1/20 0.31
PTGS2 P35354 1/20 0.30
PSMB8 P28062 1/20 0.30
FYN P06241 1/20 0.30
GUSB P08236 1/20 0.30
MAP3K11 Q16584 1/20 0.30

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
SCHEMBL593440 0.92 ADORA2A (0.31) BRD4
SCHEMBL4361709 0.80 NPC1 (0.39) NPC1CA12CA1CA2CA9
SCHEMBL4361834 0.78
SCHEMBL2462686 0.77
SCHEMBL1617026 0.77 PIK3CD (0.34)
SCHEMBL2459343 0.76 HSD17B1 (0.31)
SCHEMBL2464480 0.74 DYRK1A (0.34) NPC1NISCHFYN
SCHEMBL593539 0.74 CYP1A1 (0.35)
SCHEMBL593403 0.74 DYRK1A (0.37)
SCHEMBL595021 0.74 ITK (0.35)

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 NPC1 431/4885CA12 3887/4885CA1 4166/4885
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 NPC1 1248/4885CA12 3371/4885CA1 4289/4885
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 NPC1 431/4885CA12 3887/4885CA1 4166/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 NPC1 431/4885CA12 3887/4885CA1 4166/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 NPC1 2808/4885CA12 4304/4885CA1 4148/4885
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 NPC1 541/4885CA12 3693/4885CA1 3682/4885
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 NPC1 541/4885CA12 3693/4885CA1 3682/4885
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 NPC1 431/4885CA12 3887/4885CA1 4166/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 NPC1 1810/4885CA12 3537/4885CA1 3037/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 NPC1 431/4885CA12 3887/4885CA1 4166/4885

“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.