SCHEMBL21097327

SCHEMBL21097327

COc1ccc(F)cc1C1CCCN1c1ccnn1S(=O)(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 14/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35

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
SCHEMBL15017378 1.00 NTRK1 (0.42) NTRK1SMN1; SMN2KDM4ETSHRJAK2
SCHEMBL21097331 0.90 NTRK1 (0.37) NTRK1JAK2
SCHEMBL21097335 0.90 NTRK1 (0.37) NTRK1JAK2
SCHEMBL21097323 0.89 NTRK1 (0.51) NTRK1JAK2
SCHEMBL21097320 0.89 NTRK1 (0.51) NTRK1JAK2
SCHEMBL21097300 0.88 NTRK1 (0.45) NTRK1JAK2
SCHEMBL18049519 0.88 NTRK1 (0.45) NTRK1JAK2
SCHEMBL15017388 0.77 NTRK1 (0.46) NTRK1JAK2
SCHEMBL15017554 0.77 NTRK1 (0.38) NTRK1JAK2
SCHEMBL28673945 0.76 NTRK1 (0.46) NTRK1JAK2CCNT1CDK9

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 NTRK1 4/4885SMN1; SMN2 2317/4885KDM4E 2770/4885

“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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