SCHEMBL3544894

SCHEMBL3544894

COc1cc(C(=O)NCC(C)(C)CN(C)C)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.60
BRD4 O60885 5/20 0.60
BRDT Q58F21 5/20 0.60
RAD52 P43351 1/20 0.53
PLK3 Q9H4B4 4/20 0.52
PLK2 Q9NYY3 2/20 0.52
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PRKCG P05129 1/20 0.51
CLK2 P49760 1/20 0.51
RPS6KA3 P51812 1/20 0.51
NEK4 P51957 1/20 0.51
PTK2 Q05397 1/20 0.51
CAMK2G Q13555 1/20 0.51
CAMK2D Q13557 1/20 0.51
SRPK1 Q96SB4 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51
CSNK1G1 Q9HCP0 1/20 0.51
CSNK1G3 Q9Y6M4 1/20 0.51
MAPK7 Q13164 1/20 0.50

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
SCHEMBL1560256 0.93 PLK1 (0.70) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3544473 0.93 PLK1 (0.59) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2397899 0.93 PLK1 (0.62) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3539402 0.92 PLK1 (0.58) PLK1BRD4BRDTRAD52PLK3
SCHEMBL17506096 0.91 PLK1 (0.62) PLK1BRD4BRDTRAD52PLK3
SCHEMBL17506097 0.91 PLK1 (0.64) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3538543 0.90 PLK1 (0.61) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2395764 0.90 PLK1 (0.65) PLK1BRD4BRDTRAD52PLK3
SCHEMBL3543949 0.89 PLK1 (0.72) PLK1BRD4BRDTRAD52PLK3
SCHEMBL2396151 0.88 PLK1 (0.67) PLK1BRD4BRDTRAD52PLK3

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 PLK1 847/4885BRD4 2662/4885BRDT 3116/4885

“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.