SCHEMBL3785501

SCHEMBL3785501

CNc1nc(C)nc(-n2c(Nc3cc[nH]n3)nc3ccc(-c4ccc(NC(C)=O)cc4)cc32)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.47
MTOR P42345 11/20 0.47
PIK3CD O00329 10/20 0.47
PIK3CB P42338 10/20 0.47
PIK3CG P48736 10/20 0.47
ALK Q9UM73 1/20 0.38
BRAF P15056 2/20 0.37
CHEK1 O14757 1/20 0.36
SYK P43405 1/20 0.34
MAP3K5 Q99683 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
SCHEMBL9948390 0.93 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3784601 0.87 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3788818 0.86 MTOR (0.48) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3785227 0.86 MTOR (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL3790272 0.84 PIK3CA (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3790277 0.84 PIK3CD (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948280 0.84 MTOR (0.45) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948864 0.83 PIK3CD (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3791663 0.83 MTOR (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL9949157 0.82 PIK3CA (0.42) 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.