Sugi Predict

Sugi Predict / Compounds / SCHEMBL6943615

SCHEMBL6943615

SCHEMBL6943615

Nc1nccn2c(-c3cccc(C(=O)O)c3)nc(-c3cc4cccc(Cl)c4[nH]3)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.63
▸ MTOR P42345 2/20 0.63
▸ PIK3CG P48736 2/20 0.63
▸ PRKDC P78527 2/20 0.63
▸ RICTOR Q6R327 2/20 0.63
▸ RPTOR Q8N122 2/20 0.63
▸ MAPKAP1 Q9BPZ7 2/20 0.63
▸ MLST8 Q9BVC4 2/20 0.63
▸ PIK3CB P42338 1/20 0.63
▸ TNK2 Q07912 12/20 0.59
▸ BTK Q06187 2/20 0.51
▸ IGF1R P08069 1/20 0.41
▸ RET P07949 3/20 0.40
▸ RIPK2 O43353 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ FECH P22830 1/20 0.40
▸ ACVR1B P36896 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL6943588 0.92 PIK3CA (0.64) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL12708834 0.85 PIK3CA (0.61) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL593778 0.80 PIK3CA (0.85) PIK3CAMTORPIK3CGPRKDCRICTOR
Bicarbonate SCHEMBL1552842 0.78 PIK3CA (0.87) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL31060723 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL6944351 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL8076972 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL15071027 0.76 PIK3CA (0.82) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL6940188 0.75 PIK3CA (0.88) PIK3CAMTORPIK3CGPRKDCRICTOR
SCHEMBL4370402 0.74 TNK2 (1.00) TNK2BTK

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 42 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
US-8557814-B2 mTOR inhibitor salt forms OSI Pharmaceuticals, LLC (US) 2013-10-15 — — US disclosed
US-8557814-B2 mTOR inhibitor salt forms OSI Pharmaceuticals, LLC (US) 2013-10-15 — — 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-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-8314111-B2 Fused bicyclic motor inhibitors OSI Pharmaceuticals, LLC (US) 2012-11-20 — — US disclosed
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
WO-2009117482-A1 MTOR INHIBITOR SALT FORMS OSI PHARMACEUTICALS, INC (US) 2009-09-24 — — WO 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-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 PIK3CA 25/4885MTOR 1/4885PIK3CG 142/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 PIK3CA 25/4885MTOR 1/4885PIK3CG 142/4885
US-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 PIK3CA 10/4885MTOR 1/4885PIK3CG 28/4885
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 57/4885MTOR 5/4885PIK3CG 360/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 PIK3CA 90/4885MTOR 1/4885PIK3CG 166/4885

“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.