SCHEMBL21097342

SCHEMBL21097342

O=S(=O)(c1ccc(-n2cncn2)nc1)n1nccc1N1CCC[C@@H]1c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ NTRK1 P04629 12/20 0.33
▸ JAK2 O60674 11/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ RET P07949 1/20 0.32
▸ MET P08581 1/20 0.32
▸ ROS1 P08922 1/20 0.32
▸ FGR P09769 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ TIE1 P35590 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32

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
SCHEMBL21097345 1.00 ALDH1A1 (0.36) ALDH1A1KDM4EHDAC6HDAC8NTRK1
SCHEMBL21097304 0.88 NTRK1 (0.41) NTRK1JAK2
SCHEMBL21097303 0.88 NTRK1 (0.41) NTRK1JAK2
SCHEMBL21097344 0.82 NTRK1 (0.38) ALDH1A1NTRK1JAK2INSRLYN
SCHEMBL21097346 0.82 NTRK1 (0.38) ALDH1A1NTRK1JAK2INSRLYN
SCHEMBL21097309 0.81 TRPA1 (0.48) KDM4ETRPA1HTT
SCHEMBL21097310 0.81 TRPA1 (0.48) KDM4ETRPA1HTT
SCHEMBL15039643 0.73 NTRK1 (0.41) NTRK1JAK2
SCHEMBL16292809 0.73 NTRK1 (0.41) NTRK1JAK2
SCHEMBL21097302 0.72 GRIA4 (0.36) NTRK1JAK2TRPA1

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 ALDH1A1 3267/4885KDM4E 2770/4885HDAC6 1195/4885

“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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