SCHEMBL3542911

SCHEMBL3542911

COc1cc(C(=O)NC2CCCCC2)ccc1Nc1ncc2c(n1)N(C1CCN(C)CC1)CCC(=O)N2C

nearest known ligand 0.96

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.96
PLK1 P53350 14/20 0.94
BRD4 O60885 7/20 0.82
BRDT Q58F21 6/20 0.82
ALK Q9UM73 1/20 0.72
PLK3 Q9H4B4 1/20 0.69

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
SCHEMBL31307909 0.98 RAD52 (1.00) RAD52PLK1BRD4BRDTALK
SCHEMBL17706070 0.98 RAD52 (1.00) RAD52PLK1BRD4BRDTALK
SCHEMBL3543386 0.98 RAD52 (1.00) RAD52PLK1BRD4BRDTALK
SCHEMBL619257 0.97 PLK1 (1.00) RAD52PLK1BRD4BRDTALK
SCHEMBL3669790 0.95 PLK1 (0.97) RAD52PLK1BRD4BRDTALK
SCHEMBL1204202 0.95 PLK1 (0.94) RAD52PLK1BRD4BRDTALK
SCHEMBL1202517 0.95 PLK1 (0.94) RAD52PLK1BRD4BRDTALK
SCHEMBL3549651 0.94 RAD52 (0.92) RAD52PLK1BRD4BRDTALK
SCHEMBL4301486 0.93 PLK1 (0.93) RAD52PLK1BRD4BRDTALK
SCHEMBL3994522 0.93 RAD52 (0.89) RAD52PLK1BRD4BRDTALK

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 RAD52 4730/4885PLK1 847/4885BRD4 2662/4885

“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.