SCHEMBL21097340

SCHEMBL21097340

O=S(=O)(c1ccc(N2CCOCC2)cc1)n1nccc1N1CCC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ PIK3C3 Q8NEB9 2/20 0.43
▸ NTRK1 P04629 12/20 0.43
▸ JAK2 O60674 6/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIK3CB P42338 1/20 0.37

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
SCHEMBL21097343 1.00 PTGS1 (0.44) PTGS1PTGS2PIK3C3NTRK1JAK2
SCHEMBL21097316 0.83 NTRK1 (0.47) PIK3C3NTRK1JAK2
SCHEMBL21097315 0.83 NTRK1 (0.47) PIK3C3NTRK1JAK2
SCHEMBL21097329 0.81 NTRK1 (0.49) NTRK1JAK2
SCHEMBL21097332 0.81 NTRK1 (0.49) NTRK1JAK2
SCHEMBL28129544 0.80 NTRK1 (0.47) PIK3C3NTRK1JAK2
SCHEMBL21097294 0.80 NTRK1 (0.44) PIK3C3NTRK1JAK2
SCHEMBL21097293 0.80 NTRK1 (0.44) PIK3C3NTRK1JAK2
SCHEMBL21097341 0.80 NTRK1 (0.44) PIK3C3NTRK1JAK2
SCHEMBL21097337 0.80 NTRK1 (0.44) PIK3C3NTRK1JAK2

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 claimed

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 PTGS1 2829/4885PTGS2 3611/4885PIK3C3 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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