SCHEMBL4580393

SCHEMBL4580393

Cn1c2c(n(-c3ccc(C#N)c(NC4CCOCC4)c3)c1=O)CC(C)(C)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.46
HSP90AB1 P08238 13/20 0.46
HSP90B1 P14625 7/20 0.46
TRAP1 Q12931 6/20 0.46
CYP11B2 P19099 4/20 0.39

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
SCHEMBL4581091 0.89 HSP90AB1 (0.49) HSP90AA1HSP90AB1HSP90B1TRAP1CYP11B2
SCHEMBL4581751 0.83 HSP90AA1 (0.64) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4580721 0.82 HSP90AA1 (0.49) HSP90AA1HSP90AB1HSP90B1TRAP1CYP11B2
SCHEMBL4582471 0.79 CYP11B2 (0.42) HSP90AA1HSP90AB1HSP90B1TRAP1CYP11B2
SCHEMBL4578462 0.78 CYP11B2 (0.46) HSP90AA1HSP90AB1CYP11B2
SCHEMBL1218730 0.76 HSP90AB1 (0.61) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4580699 0.76 HSP90AA1 (0.40) HSP90AA1HSP90AB1HSP90B1TRAP1CYP11B2
SCHEMBL3630143 0.76 HSP90AB1 (0.63) HSP90AA1HSP90AB1HSP90B1TRAP1CYP11B2
SCHEMBL3630140 0.76 HSP90AB1 (0.63) HSP90AA1HSP90AB1HSP90B1TRAP1CYP11B2
SCHEMBL1220779 0.75 HSP90AB1 (0.60) HSP90AA1HSP90AB1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024970-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 HSP90AA1 2797/4885HSP90AB1 2208/4885HSP90B1 2531/4885

“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.