SCHEMBL3792933

SCHEMBL3792933

CNC(=O)c1ccc(-c2ccc3c(c2)nc(Nc2cc[nH]n2)n3-c2nc(C)nc(NC)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.42
MTOR P42345 11/20 0.42
PIK3CD O00329 10/20 0.42
PIK3CB P42338 9/20 0.42
PIK3CG P48736 9/20 0.42
CHEK1 O14757 1/20 0.35
CRBN Q96SW2 7/20 0.34
BRAF P15056 1/20 0.33
SCN9A Q15858 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL3790532 0.95 PIK3CD (0.39) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3784601 0.93 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL3790272 0.90 PIK3CA (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948483 0.89 PIK3CD (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948390 0.87 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948575 0.87 MTOR (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3793768 0.87 MTOR (0.48) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948553 0.86 PIK3CD (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948579 0.84 MTOR (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3790535 0.84 PIK3CD (0.39) 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 7 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
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US disclosed
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US 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.