SCHEMBL1129344

SCHEMBL1129344

COc1ncnnc1CN

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
DPP4 P27487 2/20 0.32
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PDPK1 O15530 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL6935926 0.82 CYP1A2 (0.42) CYP1A2CYP2C19PDPK1ALDH1A1MAPT
SCHEMBL6938040 0.82 CYP1A2 (0.42) CYP1A2CYP2C19PDPK1ALDH1A1MAPT
SCHEMBL3392861 0.73 CYP1A2 (0.48) CYP1A2CYP2C19PDPK1ALDH1A1MAPT
SCHEMBL19762483 0.72 PDCD1 (0.41) PDCD1CD274DPP4LOXLOXL2
Hydrochloric Acid SCHEMBL22542642 0.71 PDCD1 (0.41) PDCD1CD274DPP4LOXLOXL2
SCHEMBL6935919 0.70
SCHEMBL25343724 0.68
SCHEMBL18345199 0.68
Ammonia Solution, Strong SCHEMBL4358263 0.68 CYP1A2 (0.44) CYP1A2CYP2C19PDPK1ALDH1A1MAPT
SCHEMBL4321938 0.65 CYP1A2 (0.39) CYP1A2CYP2C19ALDH1A1

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 53 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-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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 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-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-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 US disclosed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 US disclosed
WO-2009008992-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MT0RC2 OSI PHARMACEUTICALS INC. (US) 2009-01-15 WO 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-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-20070254883-A1 Unsaturated mTOR inhibitors OSI PHARMACEUTICALS, INC. 2007-11-01 US disclosed
WO-2007061737-A2 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-05-31 WO 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
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 (5 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 1722/4885PDCD1 1127/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 CYP1A2 4057/4885CYP2C19 1722/4885PDCD1 1127/4885
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 3604/4885PDCD1 763/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 CYP1A2 4546/4885CYP2C19 3639/4885PDCD1 1184/4885
US-20070254883-A1 Unsaturated mTOR inhibitors MTOR, RICTOR, MAPKAP1 CYP1A2 3527/4885CYP2C19 1979/4885PDCD1 1607/4885

“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.