SCHEMBL4581063

SCHEMBL4581063

CC1(C)CC(=O)C2=C(C1)N(c1ccc(C#N)c(NC3CCOCC3)c1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.41
HSP90AB1 P08238 9/20 0.41
HSP90B1 P14625 6/20 0.40
TRAP1 Q12931 5/20 0.40
FGFR4 P22455 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TTK P33981 1/20 0.34
CYP11B2 P19099 2/20 0.33
PTH1R Q03431 1/20 0.33

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
SCHEMBL4600194 0.91 HSP90AA1 (0.35) HSP90AA1HSP90AB1HSP90B1TRAP1FGFR4
SCHEMBL14252158 0.84 CYP11B2 (0.37) HSP90AA1HSP90AB1HSP90B1ALDH1A1MAPT
SCHEMBL4581531 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4580418 0.78 CYP11B2 (0.39) ALDH1A1MAPTCYP11B2
SCHEMBL4580393 0.74 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1TRAP1CYP11B2
SCHEMBL4579792 0.73 HSP90AA1 (0.39) HSP90AA1HSP90AB1HSP90B1TRAP1FGFR4
SCHEMBL1218730 0.72 HSP90AB1 (0.61) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1220779 0.71 HSP90AB1 (0.60) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4781886 0.70 HSP90AA1 (0.44) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4580699 0.70 HSP90AA1 (0.40) HSP90AA1HSP90AB1HSP90B1TRAP1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US claimed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS 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-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives QDPR, CCND2, CCND1 HSP90AA1 2362/4885HSP90AB1 2403/4885HSP90B1 2663/4885

“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.