SCHEMBL3791663

SCHEMBL3791663

CNc1nc(C)nc(-n2c(Nc3cc[nH]n3)nc3ccc(-c4ccnc(C)c4)cc32)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.46
PIK3CA P42336 17/20 0.46
PIK3CD O00329 16/20 0.46
PIK3CB P42338 16/20 0.46
PIK3CG P48736 16/20 0.46
BRAF P15056 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 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 SCHEMBL9949157 0.94 PIK3CA (0.42) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3778314 0.93 MTOR (0.46) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3788818 0.91 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL3785586 0.88 PIK3CA (0.41) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3785227 0.87 MTOR (0.46) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9948280 0.86 MTOR (0.45) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL9948465 0.86 PIK3CD (0.47) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3793768 0.84 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3784601 0.83 PIK3CA (0.42) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3785501 0.83 PIK3CA (0.47) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 MTOR 1/4885PIK3CA 9/4885PIK3CD 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.