SCHEMBL23931670

SCHEMBL23931670

COc1ncc(F)cc1-c1cnn2ccc(N(C)CCCN(C)C(=O)O)nc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 18/20 0.38
▸ JAK2 O60674 16/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL23931614 0.95 NTRK1 (0.39) NTRK1JAK2GPBAR1JAK1
SCHEMBL29660293 0.89 AAK1 (0.41) NTRK1JAK2GPBAR1
SCHEMBL23931627 0.85 AAK1 (0.37) NTRK1JAK2
SCHEMBL23931673 0.84 NTRK1 (0.40) NTRK1JAK2GPBAR1JAK1
SCHEMBL29660301 0.83 AAK1 (0.42) NTRK1JAK2GPBAR1
SCHEMBL23931659 0.83 SMPD3 (0.38) NTRK1GPBAR1
SCHEMBL23931615 0.82 NTRK1 (0.41) NTRK1JAK2GPBAR1JAK1
SCHEMBL23931621 0.78 SMPD3 (0.39) NTRK1GPBAR1
SCHEMBL29660254 0.75 AAK1 (0.56) JAK2FFAR4GPBAR1
SCHEMBL29660305 0.74 AAK1 (0.44) NTRK1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666575-B2 Pyrazolo[1,5]pyrimidine-based compounds and methods of their use to treat viral infections LEXICON PHARMACEUTICALS, INC. (US) 2023-06-06 — — US disclosed
EP-4138844-A1 4-(3-(PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIMIDIN-5-YL)PIPERAZINE FOR USE IN THE THE TREATMENT OF COV-229E OR COV-OC43 CORONAVIRUSES INFECTIONS Lexicon Pharmaceuticals, Inc. (US) 2023-03-01 — — EP disclosed
WO-2021216454-A1 4-(3-(PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIMIDIN-5-YL)PIPERAZINE FOR USE IN THE THE TREATMENT OF COV-229E OR COV-OC43 CORONAVIRUSES INFECTIONS LEXICON PHARMACEUTICALS, INC. (US) 2021-10-28 — — WO 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-11666575-B2 Pyrazolo[1,5]pyrimidine-based compounds and methods of their use to treat viral infections IRAK1, SARS1, IRAK2 NTRK1 1718/4885JAK2 987/4885FFAR4 4433/4885

“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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