SCHEMBL9948864

SCHEMBL9948864

CNC(=O)c1ccc(-c2ccc3nc(Nc4cc[nH]n4)n(-c4nc(C)nc(NC)n4)c3c2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.42
PIK3CA P42336 7/20 0.42
PIK3CB P42338 7/20 0.42
MTOR P42345 7/20 0.42
PIK3CG P48736 7/20 0.42
PDE2A O00408 9/20 0.34
PDE10A Q9Y233 9/20 0.34
KCNH2 Q12809 3/20 0.34
MET P08581 1/20 0.33
CDK4 P11802 1/20 0.33
CDKL1 Q00532 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
SCHEMBL9948483 0.94 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3784601 0.89 PIK3CA (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
Trifluoroacetic Acid SCHEMBL3790272 0.87 PIK3CA (0.40) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3785227 0.86 MTOR (0.46) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3785501 0.83 PIK3CA (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3788818 0.82 MTOR (0.48) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3792933 0.82 PIK3CA (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
Trifluoroacetic Acid SCHEMBL9949157 0.82 PIK3CA (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3790277 0.82 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL9948280 0.81 MTOR (0.45) PIK3CDPIK3CAPIK3CBMTORPIK3CG

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 2 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
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US 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 PIK3CD 8/4885PIK3CA 9/4885PIK3CB 7/4885

“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.