SCHEMBL593340

SCHEMBL593340

N[N+]12C=CN=CC1=C(C1CCC(C(=O)Nc3ccccn3)CC1)N=C2c1cc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.41
ITK Q08881 1/20 0.38
GSK3B P49841 8/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ACVRL1 P37023 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
CHKA P35790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
MAPK14 Q16539 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL1617074 0.89 KDR (0.44) ITKRETKDRABL1
SCHEMBL595451 0.87 IDO1 (0.41) ITKGSK3BTP53CHKA
SCHEMBL593398 0.87 SMN1; SMN2 (0.52) ITKNPC1RAB9ASMN1; SMN2
SCHEMBL593993 0.86 KDR (0.34) ITKRETKDRNPC1RAB9A
SCHEMBL594521 0.86 SYK (0.33) ITKRETKDRABL1
SCHEMBL594040 0.85 KDR (0.34) ITKRETKDRALDH1A1SMN1; SMN2
SCHEMBL594261 0.84 SLC6A3 (0.35) VCPITKRETKDRALDH1A1
SCHEMBL593955 0.82 KDR (0.39) ITKGSK3BRETKDRNPC1
SCHEMBL593587 0.81 HTR2B (0.40) KDRNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3178304 0.81 PDPK1 (0.41) ITKKDRABL1

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 VCP 1288/4885ITK 1741/4885GSK3B 1871/4885
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 VCP 2155/4885ITK 232/4885GSK3B 311/4885
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 VCP 1288/4885ITK 1741/4885GSK3B 1871/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 VCP 1288/4885ITK 1741/4885GSK3B 1871/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 VCP 2175/4885ITK 921/4885GSK3B 471/4885
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 VCP 2934/4885ITK 186/4885GSK3B 209/4885
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 VCP 2934/4885ITK 186/4885GSK3B 209/4885
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 VCP 1288/4885ITK 1741/4885GSK3B 1871/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 VCP 2119/4885ITK 532/4885GSK3B 590/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 VCP 1288/4885ITK 1741/4885GSK3B 1871/4885

“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.