SCHEMBL3786008

SCHEMBL3786008

CNC(=O)Nc1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(NCC#N)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.69
MTOR P42345 20/20 0.69
PIK3CD O00329 18/20 0.69
PIK3CB P42338 18/20 0.69
PIK3CG P48736 18/20 0.69
BRAF P15056 2/20 0.68
RAF1 P04049 1/20 0.52
KDR P35968 1/20 0.52
TGFBR2 P37173 1/20 0.52
CSNK1D P48730 1/20 0.52

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
SCHEMBL3789856 0.91 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3792297 0.91 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3786220 0.85 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3786223 0.82 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3787815 0.82 MTOR (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3779250 0.81 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3791893 0.79 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3783521 0.77 MTOR (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3785360 0.76 MTOR (0.69) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3786894 0.74 MTOR (0.80) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US claimed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP claimed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 WO claimed
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US disclosed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP disclosed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR PIK3CA 9/4885MTOR 1/4885PIK3CD 8/4885

“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.