SCHEMBL2597496

SCHEMBL2597496

CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCN(C(=O)[C@H](C)N)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.79
PIK3CA P42336 19/20 0.61
PIK3CG P48736 7/20 0.60
ATR Q13535 4/20 0.60
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50

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
SCHEMBL2597659 0.93 MTOR (0.80) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL14794908 0.92 MTOR (0.78) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL14790916 0.91 MTOR (0.75) MTORPIK3CAPIK3CGATR
SCHEMBL3145907 0.91 MTOR (0.64) MTORPIK3CAPIK3CGATR
SCHEMBL7920905 0.91 MTOR (0.64) MTORPIK3CAPIK3CGATR
Hydrochloric Acid SCHEMBL1359560 0.90 MTOR (0.64) MTORPIK3CAPIK3CGATR
SCHEMBL14776742 0.89 MTOR (1.00) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL2597679 0.88 MTOR (0.83) MTORPIK3CAPIK3CGATR
SCHEMBL14790908 0.88 MTOR (0.88) MTORPIK3CAPIK3CGATRPIK3CD
SCHEMBL14776663 0.88 MTOR (0.91) MTORPIK3CAPIK3CGATRPIK3CD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US claimed
EP-2571884-A2 MTOR SELECTIVE KINASE INHIBITORS Xcovery Holding Company LLC (US) 2013-03-27 EP claimed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US claimed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO claimed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
EP-2571884-A2 MTOR SELECTIVE KINASE INHIBITORS Xcovery Holding Company LLC (US) 2013-03-27 EP disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO 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 (1 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-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS MTOR, ULK1, ULK2 MTOR 1/4885PIK3CA 69/4885PIK3CG 198/4885

“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.