SCHEMBL21097316

SCHEMBL21097316

O=S(=O)(C1CCOCC1)n1nccc1N1CCCC1c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 18/20 0.47
▸ JAK2 O60674 9/20 0.47
▸ PIK3C3 Q8NEB9 2/20 0.43

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
SCHEMBL21097315 1.00 NTRK1 (0.47) NTRK1JAK2PIK3C3
SCHEMBL21097337 0.93 NTRK1 (0.44) NTRK1JAK2PIK3C3
SCHEMBL21097341 0.93 NTRK1 (0.44) NTRK1JAK2PIK3C3
SCHEMBL21097294 0.93 NTRK1 (0.44) NTRK1JAK2PIK3C3
SCHEMBL21097293 0.93 NTRK1 (0.44) NTRK1JAK2PIK3C3
SCHEMBL21097312 0.92 NTRK1 (0.43) NTRK1JAK2PIK3C3
SCHEMBL21097311 0.92 NTRK1 (0.43) NTRK1JAK2PIK3C3
SCHEMBL28129544 0.85 NTRK1 (0.47) NTRK1JAK2PIK3C3
SCHEMBL21097300 0.82 NTRK1 (0.45) NTRK1JAK2
SCHEMBL21097326 0.82 NTRK1 (0.45) NTRK1JAK2PIK3C3

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 NTRK1 4/4885JAK2 700/4885PIK3C3 483/4885

“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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