SCHEMBL3789188

SCHEMBL3789188

Cc1nc(NCC2CC2)nc(-n2c(Cl)nc3ccccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.46
PIK3CA P42336 11/20 0.46
PIK3CB P42338 11/20 0.46
PIK3CG P48736 11/20 0.46
MTOR P42345 10/20 0.46
BRAF P15056 1/20 0.43
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 1/20 0.37
NPY5R Q15761 1/20 0.37
MAPK1 P28482 1/20 0.37
VCP P55072 3/20 0.36
ATM Q13315 1/20 0.35

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
Hydrochloric Acid SCHEMBL3786325 0.81 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL9948701 0.78 MTOR (0.50) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3795141 0.75 SMN1; SMN2 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL9948614 0.73 MTOR (0.48) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3711360 0.72 MTOR (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
Trifluoroacetic Acid SCHEMBL3782649 0.72 MTOR (0.44) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3785561 0.70 ACKR3 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL18276400 0.67 VCP (0.60) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL9948610 0.66 MTOR (0.76) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL3789860 0.64 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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 3 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 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 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.