SCHEMBL21097302

SCHEMBL21097302

CC(C)S(=O)(=O)n1nccc1N1CCCC1c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 1/20 0.36
▸ JAK2 O60674 12/20 0.35
▸ NTRK1 P04629 12/20 0.35
▸ NR3C2 P08235 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP21A2 P08686 1/20 0.33

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
SCHEMBL21097301 1.00 GRIA4 (0.36) GRIA4JAK2NTRK1NR3C2PSEN1
SCHEMBL21097324 0.84 NTRK1 (0.45) JAK2NTRK1
SCHEMBL21097326 0.84 NTRK1 (0.45) JAK2NTRK1
SCHEMBL21097309 0.82 TRPA1 (0.48) NR3C2PSEN1PSEN2APH1BNCSTN
SCHEMBL21097310 0.82 TRPA1 (0.48) NR3C2PSEN1PSEN2APH1BNCSTN
SCHEMBL21097347 0.76 JAK2 (0.35) JAK2NTRK1
SCHEMBL21097348 0.76 JAK2 (0.35) JAK2NTRK1
SCHEMBL15017388 0.74 NTRK1 (0.46) JAK2NTRK1
SCHEMBL16293124 0.69 NTRK1 (0.45) JAK2NTRK1
SCHEMBL28129544 0.69 NTRK1 (0.47) JAK2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344031-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2019-07-09 — — 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 (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-10344031-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors MUSK, DMPK, PNCK GRIA4 1897/4885JAK2 700/4885NTRK1 4/4885

“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.

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