SCHEMBL23315005

SCHEMBL23315005

CCCCC(CCCC)C(=O)/C=C/CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 4/20 0.40
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
SLC1A3 P43003 1/20 0.36
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
PDF Q9HBH1 3/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 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
SCHEMBL19970160 0.97 CA2 (0.39) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL24304106 0.95 CA2 (0.46) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL21482374 0.95 CA2 (0.46) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL20711871 0.95 CA2 (0.41) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL21482210 0.93 CA2 (0.43) CA2SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL24462639 0.93 CA2 (0.43) CA2SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL21486156 0.93 CA2 (0.43) CA2SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL22198721 0.93 CA2 (0.43) CA2SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL18909689 0.87 CA2 (0.41) CA2MAPK1CA1GRIK1GRIK2
SCHEMBL19970124 0.82 CHRM1 (0.38) CA2MAPK1CA1SLC1A2SLC1A1

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-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-04-21 US disclosed
EP-2872491-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2021-05-05 EP 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-20220119369-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 CA2 2492/4885MAPK1 91/4885CA1 3829/4885

“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.