SCHEMBL21296771

SCHEMBL21296771

CC(C)(C)OC(=O)n1nccc1-c1cccc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.39
NR1H2 P55055 2/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
FYN P06241 1/20 0.37
USP30 Q70CQ3 2/20 0.36
BTK Q06187 1/20 0.36
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCD O00767 1/20 0.35
SCN3A Q9NY46 3/20 0.35
SCN4A P35499 2/20 0.35
SCN9A Q15858 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
DYRK3 O43781 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL9909930 0.84 NR1H2 (0.39) NR1H2HSP90AA1HSP90AB1USP30SMN1; SMN2
SCHEMBL21296822 0.81 ALDH1A1 (0.44) SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL21296800 0.77 CNR1 (0.43) FYNSCN3ASCN4ASCN9A
SCHEMBL23627885 0.77 NR1H2 (0.39) MAP2K4NR1H2HSP90AA1HSP90AB1USP30
SCHEMBL21296766 0.76 USP30 (0.41) NR1H2HSP90AA1HSP90AB1USP30
SCHEMBL978142 0.76 HSP90AA1 (0.55) NR1H2HSP90AA1HSP90AB1FYNUSP30
SCHEMBL4066085 0.76 FYN (0.43) NR1H2HSP90AA1HSP90AB1FYNBTK
SCHEMBL23213623 0.76 HSP90AA1 (0.41) MAP2K4NR1H2HSP90AA1HSP90AB1PIK3CD
SCHEMBL29795977 0.76 HSP90AA1 (0.41) MAP2K4NR1H2HSP90AA1HSP90AB1PIK3CD
SCHEMBL4951116 0.76 KDM5A (0.40) NR1H2USP30SMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 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 (2 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 MAP2K4 1915/4885NR1H2 2128/4885HSP90AA1 1363/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 MAP2K4 1915/4885NR1H2 2128/4885HSP90AA1 1363/4885

“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.