SCHEMBL4795402

SCHEMBL4795402

O=C(c1cc(Br)cc(-c2cccc3[nH]ccc23)c1)c1ccnc(N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.47
ATR Q13535 13/20 0.47
MTOR P42345 6/20 0.47
PRKDC P78527 1/20 0.47
ATRIP Q8WXE1 1/20 0.46
PIK3CD O00329 3/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
LRRK2 Q5S007 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
SCHEMBL4725857 0.86 ATR (0.46) PIK3CAATRMTORPRKDCATRIP
SCHEMBL4781403 0.85 ATR (0.51) PIK3CAATRMTORPRKDCATRIP
SCHEMBL3931106 0.84 ATR (0.44) PIK3CAATRMTORPRKDCATRIP
SCHEMBL4794333 0.84 ATR (0.44) PIK3CAATRMTORPRKDCATRIP
SCHEMBL4916252 0.81 ATR (0.46) PIK3CAATRMTORPRKDCATRIP
SCHEMBL3930613 0.81 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL4916260 0.80 ATR (0.46) PIK3CAATRMTORPRKDCATRIP
SCHEMBL4794242 0.80 PIK3CD (0.45) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4913243 0.77 ATR (0.42) PIK3CAATRMTORPRKDCPIK3CD
SCHEMBL4871389 0.76 ATR (0.49) PIK3CAATRMTORPRKDCATRIP

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-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 PIK3CA 3607/4885ATR 3201/4885MTOR 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.