SCHEMBL595254

SCHEMBL595254

Nc1ncnn2c(C3=CC=C3)nc(-c3ccc4[nH]ccc4c3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.44
PIK3CD O00329 5/20 0.44
ABL1 P00519 5/20 0.44
EGFR P00533 5/20 0.44
HCK P08631 5/20 0.44
SRC P12931 5/20 0.44
KDR P35968 5/20 0.44
PIK3CB P42338 5/20 0.44
MTOR P42345 5/20 0.44
PIK3CG P48736 5/20 0.44
EPHB4 P54760 5/20 0.44
PRKDC P78527 5/20 0.44
PI4KB Q9UBF8 2/20 0.44
FYN P06241 1/20 0.39
TNK2 Q07912 1/20 0.39
LRRK2 Q5S007 2/20 0.39
ATR Q13535 1/20 0.38
PI4K2A Q9BTU6 1/20 0.37
TGFBR1 P36897 4/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL593698 0.92 TNK2 (0.47) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL595253 0.76 TNK2 (0.60) PIK3CAPIK3CDABL1EGFRHCK
SCHEMBL593553 0.75 RET (0.53) PIK3CAPIK3CDABL1EGFRSRC
SCHEMBL399401 0.74 IGF1R (0.63) EGFRKDRIGF1R
SCHEMBL4360053 0.74 TNK2 (0.61) TNK2IGF1R
SCHEMBL1128695 0.74 TNK2 (0.60) TNK2
SCHEMBL13504882 0.72 TNK2 (0.65) TNK2
SCHEMBL402180 0.72 IGF1R (0.51) EGFRKDRTNK2IGF1R
SCHEMBL401943 0.71 IGF1R (0.46) TNK2IGF1R
SCHEMBL399076 0.71 IGF1R (0.50) TNK2IGF1R

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 23 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-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
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
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 (9 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 PIK3CA 25/4885PIK3CD 57/4885ABL1 430/4885
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 PIK3CA 14/4885PIK3CD 71/4885ABL1 22/4885
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PIK3CA 25/4885PIK3CD 57/4885ABL1 430/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PIK3CA 25/4885PIK3CD 57/4885ABL1 430/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 PIK3CA 10/4885PIK3CD 17/4885ABL1 675/4885
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 PIK3CA 57/4885PIK3CD 272/4885ABL1 132/4885
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 PIK3CA 57/4885PIK3CD 272/4885ABL1 132/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 PIK3CA 90/4885PIK3CD 121/4885ABL1 1104/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 PIK3CA 25/4885PIK3CD 57/4885ABL1 430/4885

“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.