SCHEMBL19701170

SCHEMBL19701170

CC(C)(C)OC(=O)n1cc(CC#N)c2cc(Cl)cnc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1H2 P55055 1/20 0.35
GPR119 Q8TDV5 6/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
NR3C1 P04150 1/20 0.32
CPB2 Q96IY4 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 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
SCHEMBL30726140 1.00 HTR6 (0.36) HTR6JAK2JAK1L3MBTL1NR1H2
SCHEMBL25296303 0.86 HTR6 (0.36) HTR6JAK2JAK1L3MBTL1NR1H2
SCHEMBL1266749 0.86 HTR6 (0.38) HTR6L3MBTL1HSP90AA1HSP90AB1NR3C1
SCHEMBL27043949 0.85 HTR6 (0.38) HTR6JAK2JAK1L3MBTL1NR1H2
SCHEMBL25257992 0.83 ELANE (0.42) NR1H2GPR119HSP90AA1HSP90AB1
SCHEMBL19701172 0.83 HTR6 (0.38) HTR6JAK2JAK1L3MBTL1NR1H2
SCHEMBL30726137 0.83 HTR6 (0.38) HTR6JAK2JAK1L3MBTL1NR1H2
SCHEMBL17873380 0.83 CYP2A6 (0.33) L3MBTL1
SCHEMBL12095215 0.83 HTR6 (0.43) HTR6L3MBTL1GPR119HSP90AA1HSP90AB1
SCHEMBL19701168 0.81 HSP90AA1 (0.33) HTR6JAK2JAK1NR1H2GPR119

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-20240025914-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2024-01-25 US disclosed
US-20170355704-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 US disclosed
US-20170355704-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 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 (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-20170355704-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS HTR6 4555/4885JAK2 1155/4885JAK1 2733/4885
US-20240025914-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS HTR6 4555/4885JAK2 1155/4885JAK1 2733/4885

“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.