SCHEMBL3547133

SCHEMBL3547133

COc1cc(C(=O)NCCCN(C)C)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CCC(=O)N2C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.74
PLK1 P53350 14/20 0.73
BRD4 O60885 6/20 0.67
BRDT Q58F21 6/20 0.67
TTK P33981 3/20 0.62
PLK3 Q9H4B4 3/20 0.59
PLK2 Q9NYY3 1/20 0.59
MAPK7 Q13164 1/20 0.59
ALK Q9UM73 1/20 0.58
PRKD3 O94806 1/20 0.56
MAP4K4 O95819 1/20 0.56
PRKCG P05129 1/20 0.56
CLK2 P49760 1/20 0.56
RPS6KA3 P51812 1/20 0.56
NEK4 P51957 1/20 0.56
PTK2 Q05397 1/20 0.56
CAMK2G Q13555 1/20 0.56
CAMK2D Q13557 1/20 0.56
SRPK1 Q96SB4 1/20 0.56
PRKD2 Q9BZL6 1/20 0.56

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
SCHEMBL1203621 0.99 PLK1 (0.74) RAD52PLK1BRD4BRDTTTK
SCHEMBL3549824 0.96 RAD52 (0.76) RAD52PLK1BRD4BRDTTTK
SCHEMBL1202863 0.94 PLK1 (0.67) RAD52PLK1BRD4BRDTTTK
SCHEMBL1203548 0.93 PLK1 (0.77) RAD52PLK1BRD4BRDTTTK
SCHEMBL1204378 0.92 PLK1 (0.76) RAD52PLK1BRD4BRDTTTK
SCHEMBL1203822 0.92 PLK1 (0.79) RAD52PLK1BRD4BRDTTTK
SCHEMBL3542341 0.90 PLK1 (0.60) RAD52PLK1BRD4BRDTTTK
SCHEMBL2396096 0.90 PLK1 (0.79) RAD52PLK1BRD4BRDTTTK
SCHEMBL1203787 0.90 PLK1 (0.74) RAD52PLK1BRD4BRDTTTK
SCHEMBL3991481 0.90 RAD52 (0.77) RAD52PLK1BRD4BRDTTTK

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.