SCHEMBL22014994

SCHEMBL22014994

CC(C)c1cc2c(cc1N)COC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL30655833 0.81 GAA (0.43) HSP90AA1HSP90AB1POLBGAAGFER
SCHEMBL21879118 0.81 GAA (0.43) HSP90AA1HSP90AB1POLBGAAGFER
SCHEMBL17864275 0.77 PTK2 (0.41) GAA
SCHEMBL832810 0.74 GAA (0.46) HSP90AA1HSP90AB1POLBGAAGFER
SCHEMBL22014995 0.72
SCHEMBL21962284 0.72
SCHEMBL117750 0.71 PTK2 (0.41) HSP90AA1HSP90AB1POLBGAAGFER
SCHEMBL19906479 0.71 CYP3A4 (0.46) HSP90AA1POLBGAAGFER
SCHEMBL16744203 0.71 MAPT (0.31)
SCHEMBL25067134 0.69

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HSP90AA1 1078/4885HSP90AB1 1045/4885POLB 4588/4885

“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.