SCHEMBL4871389

SCHEMBL4871389

CC(=O)Nc1cc(C(=O)c2cc(C)nc(N3CCOCC3)c2)cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 14/20 0.49
PIK3CA P42336 10/20 0.49
MTOR P42345 5/20 0.49
PRKDC P78527 1/20 0.49
PIK3CD O00329 4/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 3/20 0.44
ATRIP Q8WXE1 1/20 0.43
PIK3R1 P27986 1/20 0.42

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
SCHEMBL4916252 0.96 ATR (0.46) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL4796500 0.92 ATR (0.47) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL4725857 0.90 ATR (0.46) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL4913700 0.89 ATR (0.54) ATRPIK3CAMTORPRKDCATRIP
SCHEMBL4916260 0.89 ATR (0.46) ATRPIK3CAMTORPRKDCATRIP
SCHEMBL4913243 0.85 ATR (0.42) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL3931106 0.83 ATR (0.44) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL4793956 0.83 ATR (0.50) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL4794333 0.81 ATR (0.44) ATRPIK3CAMTORPRKDCPIK3CD
SCHEMBL4781403 0.80 ATR (0.51) ATRPIK3CAMTORPRKDCPIK3CG

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-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 ATR 3201/4885PIK3CA 3607/4885MTOR 3473/4885

“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.