SCHEMBL3548429

SCHEMBL3548429

CN1C(=O)CCN(Cc2ccoc2)c2nc(Cl)ncc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RAD52 P43351 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYBB P04839 2/20 0.30
NOX5 Q96PH1 2/20 0.30
NOX4 Q9NPH5 2/20 0.30
NOX1 Q9Y5S8 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
SCHEMBL1203702 0.85 POLB (0.41) RAD52KDM4EALDH1A1POLB
SCHEMBL3543105 0.77 SMN1; SMN2 (0.38) CYP11B1CYP11B2RAD52SMN1; SMN2
SCHEMBL3668641 0.76 ALDH1A1 (0.35) CYP11B1CYP11B2RAD52KDM4EALDH1A1
SCHEMBL3543738 0.76 SMN1; SMN2 (0.35) CYP11B1CYP11B2RAD52SMN1; SMN2
SCHEMBL3548150 0.76 RPS6KA3 (0.37) HSP90AA1CYP11B1CYP11B2RAD52SMN1; SMN2
SCHEMBL3551546 0.76 TAS2R8 (0.42)
SCHEMBL3538427 0.76 TLR9 (0.41) HSP90AA1SMN1; SMN2
SCHEMBL3539514 0.75 SMN1; SMN2 (0.34) CYP11B1CYP11B2RAD52SMN1; SMN2
SCHEMBL3543954 0.75 RPS6KA3 (0.45) HSP90AA1CYP11B1CYP11B2RAD52SMN1; SMN2
SCHEMBL3543190 0.75 TRPC5 (0.36) CYP11B1CYP11B2RAD52SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO 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 HSP90AA1 1435/4885CYP11B1 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.