SCHEMBL6935926

SCHEMBL6935926

CCc1nncnc1OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
PDPK1 O15530 1/20 0.32
CRHR1 P34998 2/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6938040 0.83 CYP1A2 (0.42) CYP1A2CYP2C19PDPK1ALDH1A1KDM4E
SCHEMBL1129344 0.82 CYP1A2 (0.41) CYP1A2CYP2C19PDPK1ALDH1A1MAPT
SCHEMBL3392861 0.75 CYP1A2 (0.48) CYP1A2CYP2C19PDPK1ALDH1A1KDM4E
SCHEMBL8232557 0.72 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL19696540 0.71
SCHEMBL6935919 0.71
SCHEMBL1607631 0.71 CYP2D6 (0.35) CYP1A2CYP2C19CRHR1ALDH1A1
SCHEMBL12819873 0.71 HSD17B10 (0.42) PDPK1CRHR1ALDH1A1MAPT
SCHEMBL26043736 0.71 PDPK1 (0.36) CYP1A2CYP2C19PDPK1CRHR1ALDH1A1
Ammonia Solution, Strong SCHEMBL4358263 0.70 CYP1A2 (0.44) CYP1A2CYP2C19PDPK1ALDH1A1KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US 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
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
US-7943767-B2 Fused bicyclic mTOR inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-05-17 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-7659274-B2 3-cyclobutyl-1-[(4-phenoxyphenyl)ethynyl]imidazo[1,5-a]pyrazin-8-amine, N-{3-[(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)ethynyl]phenyl}-4-chlorobenzamide; inhibitors of mammalian Target Of Rapamycin (mTOR) kinase; cancer OSI PHARMACEUTICALS, INC. (US) 2010-02-09 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20070254883-A1 Unsaturated mTOR inhibitors OSI PHARMACEUTICALS, INC. 2007-11-01 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 (11 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 CYP1A2 4057/4885CYP2C19 1722/4885PDPK1 72/4885
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 CYP1A2 4796/4885CYP2C19 3552/4885PDPK1 52/4885
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 CYP1A2 4057/4885CYP2C19 1722/4885PDPK1 72/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 CYP1A2 4057/4885CYP2C19 1722/4885PDPK1 72/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 CYP1A2 4882/4885CYP2C19 4702/4885PDPK1 9/4885
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 CYP1A2 4769/4885CYP2C19 3604/4885PDPK1 158/4885
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 CYP1A2 27/4885CYP2C19 3/4885PDPK1 1273/4885
US-20110190496-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 CYP1A2 4057/4885CYP2C19 1722/4885PDPK1 72/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 CYP1A2 4546/4885CYP2C19 3639/4885PDPK1 15/4885
US-20070254883-A1 Unsaturated mTOR inhibitors MTOR, RICTOR, MAPKAP1 CYP1A2 3527/4885CYP2C19 1979/4885PDPK1 53/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 CYP1A2 4057/4885CYP2C19 1722/4885PDPK1 72/4885

“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.