SCHEMBL20711871

SCHEMBL20711871

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MAPK1 P28482 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
CA1 P00915 2/20 0.35
FFAR1 O14842 1/20 0.35
MAPT P10636 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 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
SCHEMBL21482210 0.98 CA2 (0.43) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL22198721 0.98 CA2 (0.43) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL21486156 0.98 CA2 (0.43) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL24462639 0.98 CA2 (0.43) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL24304106 0.97 CA2 (0.46) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL21482374 0.97 CA2 (0.46) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL23315005 0.95 CA2 (0.41) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL18909689 0.92 CA2 (0.41) CA2GRIK1GRIK2MAPK1GPR84
SCHEMBL19970160 0.92 CA2 (0.39) CA2GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL21482325 0.83 CA1 (0.44) GPR84CA1FFAR1MAPT

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-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-09 US disclosed
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 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 (3 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-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 CA2 2492/4885GRIK1 706/4885GRIK2 1071/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 CA2 2492/4885GRIK1 706/4885GRIK2 1071/4885
US-20200216423-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 CA2 2492/4885GRIK1 706/4885GRIK2 1071/4885

“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.