SCHEMBL3930172

SCHEMBL3930172

COC(=O)Nc1cc(Nc2ccnc(N3CCOCC3)c2)cc(-c2cccc3[nH]ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.44
ATRIP Q8WXE1 1/20 0.44
PIK3CA P42336 8/20 0.42
MTOR P42345 6/20 0.42
PRKDC P78527 1/20 0.42
EPHB4 P54760 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
SMG1 Q96Q15 1/20 0.41
PIK3R1 P27986 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL3931106 0.89 ATR (0.44) ATRATRIPPIK3CAMTORPRKDC
SCHEMBL4163525 0.82 HPGDS (0.45) PIK3CAMALT1PIK3CD
SCHEMBL4725857 0.81 ATR (0.46) ATRATRIPPIK3CAMTORPRKDC
SCHEMBL4796500 0.80 ATR (0.47) ATRPIK3CAMTORPRKDCPIK3R1
SCHEMBL4794333 0.77 ATR (0.44) ATRATRIPPIK3CAMTORPRKDC
SCHEMBL4156340 0.77 HPGDS (0.48) PIK3CAPIK3CD
SCHEMBL4916252 0.77 ATR (0.46) ATRATRIPPIK3CAMTORPRKDC
SCHEMBL3938224 0.77 HPGDS (0.54) PIK3CAPIK3CD
SCHEMBL4781403 0.76 ATR (0.51) ATRATRIPPIK3CAMTORPRKDC
SCHEMBL4916260 0.75 ATR (0.46) ATRATRIPPIK3CAMTORPRKDC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (2 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 ATR 3040/4885ATRIP 3288/4885PIK3CA 3659/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 ATR 3023/4885ATRIP 3263/4885PIK3CA 3567/4885

“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.