SCHEMBL9949152

SCHEMBL9949152

Cc1nccc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 1.00
MTOR P42345 19/20 1.00
PIK3CD O00329 6/20 0.71
PIK3CB P42338 6/20 0.71
PIK3CG P48736 6/20 0.71
BRAF P15056 2/20 0.56
KDR P35968 2/20 0.54
RAF1 P04049 1/20 0.54
TGFBR2 P37173 1/20 0.54
CSNK1D P48730 1/20 0.54
PLK1 P53350 1/20 0.53
PTK2 Q05397 1/20 0.53
AURKB Q96GD4 1/20 0.53

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
SCHEMBL3787339 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948722 0.83 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL9948330 0.79 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3791094 0.77 MTOR (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3779250 0.72 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL14380865 0.68 KDR (0.62) PIK3CAMTORPIK3CBPIK3CGKDR
SCHEMBL3788340 0.68 MTOR (0.80) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL14380870 0.68 KDR (0.61) PIK3CAMTORPIK3CBPIK3CGKDR
SCHEMBL14380857 0.68 KDR (0.74) PIK3CAMTORKDR
SCHEMBL9948720 0.67 MTOR (1.00) 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 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 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.