SCHEMBL3545591

SCHEMBL3545591

CCN1CCC(NC(=O)c2cc(Cl)c(Nc3ncc4c(n3)N(C(C)C)CC3(CC3)C(=O)N4C)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.52
PLK3 Q9H4B4 6/20 0.50
PLK2 Q9NYY3 6/20 0.50
PTK2 Q05397 2/20 0.43
BRD4 O60885 2/20 0.43
LRRK2 Q5S007 1/20 0.42
BRDT Q58F21 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
SCHEMBL3541574 0.93 PLK1 (0.53) PLK1PLK3PLK2PTK2BRD4
SCHEMBL3541137 0.91 PLK1 (0.56) PLK1PLK3PLK2PTK2BRD4
SCHEMBL3541132 0.91 PLK1 (0.56) PLK1PLK3PLK2PTK2BRD4
SCHEMBL3546440 0.89 PLK1 (0.63) PLK1PLK3PLK2BRD4BRDT
SCHEMBL3540805 0.86 PLK1 (0.60) PLK1PLK3PLK2PTK2BRD4
SCHEMBL3541725 0.84 PLK1 (0.61) PLK1PLK3PLK2PTK2BRD4
SCHEMBL3540977 0.82 PLK1 (0.65) PLK1PLK3PLK2BRD4BRDT
SCHEMBL3545697 0.82 PLK1 (0.64) PLK1PLK3PLK2BRD4BRDT
SCHEMBL3545348 0.82 PLK1 (0.50) PLK1PLK3PLK2PTK2BRD4
SCHEMBL3545260 0.82 PLK1 (0.71) PLK1PLK3PLK2BRD4BRDT

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 847/4885PLK3 2136/4885PLK2 1286/4885

“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.