SCHEMBL9948955

SCHEMBL9948955

COc1cccc(NC(=O)Nc2ccc(Nc3nc4ccccc4n3-c3nc(C)nc(N)n3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.73
PIK3CA P42336 15/20 0.73
PIK3CB P42338 15/20 0.73
MTOR P42345 15/20 0.73
PIK3CG P48736 15/20 0.73
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KDR P35968 2/20 0.50
INSR P06213 1/20 0.50
LCK P06239 1/20 0.50
LYN P07948 1/20 0.50
SRC P12931 1/20 0.50
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9948443 0.91 MTOR (0.64) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3790020 0.89 MTOR (0.74) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL9948442 0.89 MTOR (0.66) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3788340 0.89 MTOR (0.80) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL9948493 0.86 MTOR (0.78) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3803889 0.85 MTOR (0.67) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3792207 0.85 MTOR (0.82) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3787815 0.84 MTOR (1.00) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3784594 0.84 MTOR (0.69) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3784598 0.83 MTOR (0.69) 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.