SCHEMBL3544447

SCHEMBL3544447

COCC(C)N1CCC(=O)N(C)c2cnc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TTK P33981 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
RAD52 P43351 2/20 0.30

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
SCHEMBL3538717 0.87 SMN1; SMN2 (0.34) PLK1CYP11B1CYP11B2TTKSMN1; SMN2
SCHEMBL3542245 0.84 SMN1; SMN2 (0.37) PLK1CYP11B1CYP11B2TTKSMN1; SMN2
SCHEMBL1203578 0.82 SMN1; SMN2 (0.35) PLK1CYP11B1CYP11B2TTKSMN1; SMN2
SCHEMBL3543713 0.80 RAD52 (0.38) PLK1CYP11B1CYP11B2TTKSMN1; SMN2
SCHEMBL3542184 0.79 SMN1; SMN2 (0.40) PLK1CYP11B1CYP11B2TTKSMN1; SMN2
SCHEMBL3539972 0.77 PDE2A (0.33) ABL1BCR
SCHEMBL3548150 0.76 RPS6KA3 (0.37) PLK1CYP11B1CYP11B2TTKSMN1; SMN2
SCHEMBL3543954 0.75 RPS6KA3 (0.45) PLK1CYP11B1CYP11B2TTKSMN1; SMN2
SCHEMBL7747078 0.75 RPS6KA3 (0.36) SMN1; SMN2
SCHEMBL2874984 0.74 RPS6KA3 (0.36) SMN1; SMN2ABL1BCR

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 847/4885CYP11B1 2/4885CYP11B2 1/4885

“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.