SCHEMBL595451

SCHEMBL595451

N[N+]12C=CN=CC1=C(C1CCC(C(=O)Nc3cccnc3)CC1)N=C2c1cc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
ITK Q08881 1/20 0.40
DYRK1A Q13627 9/20 0.37
CLK2 P49760 8/20 0.37
CLK3 P49761 8/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
TBK1 Q9UHD2 1/20 0.34
CHKA P35790 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CYP19A1 P11511 1/20 0.34
CLK1 P49759 1/20 0.34
HASPIN Q8TF76 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
SLC2A1 P11166 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
SCHEMBL593340 0.87 VCP (0.41) ITKGSK3BTP53CHKA
SCHEMBL1617074 0.85 KDR (0.44) ITK
SCHEMBL593398 0.85 SMN1; SMN2 (0.52) ITKKDM4E
SCHEMBL593993 0.84 KDR (0.34) ITK
SCHEMBL594521 0.84 SYK (0.33) ITK
SCHEMBL594040 0.83 KDR (0.34) ITKKDM4ECRHBPCRHR2SLC2A1
SCHEMBL594261 0.82 SLC6A3 (0.35) ITKKDM4E
SCHEMBL593587 0.81 HTR2B (0.40) TP53
SCHEMBL593955 0.80 KDR (0.39) ITKGSK3AGSK3BKDM4ESLC2A1
SCHEMBL593777 0.79 IDO1 (0.40) IDO1KDM4E

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 17 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
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-7943767-B2 Fused bicyclic mTOR inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
EP-1951724-B1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARM INC (US) 2011-04-27 EP 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-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 (7 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-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 IDO1 3956/4885ITK 232/4885DYRK1A 366/4885
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 IDO1 4705/4885ITK 1741/4885DYRK1A 3350/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 IDO1 4705/4885ITK 1741/4885DYRK1A 3350/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 IDO1 3505/4885ITK 921/4885DYRK1A 1857/4885
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 IDO1 4394/4885ITK 186/4885DYRK1A 306/4885
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 IDO1 4394/4885ITK 186/4885DYRK1A 306/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 IDO1 3757/4885ITK 532/4885DYRK1A 3233/4885

“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.