SCHEMBL29660305

SCHEMBL29660305

COc1ncc(C)cc1-c1cnn2ccc(N(C)CCN(C)C(=O)OC(C)C)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.44
▸ NTRK1 P04629 7/20 0.35
▸ NTRK3 Q16288 3/20 0.35
▸ NTRK2 Q16620 3/20 0.35
▸ CSNK2A1 P68400 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ SMPD3 Q9NY59 2/20 0.33
▸ ACVR2A P27037 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ JAK2 O60674 4/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ RET P07949 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ FYN P06241 1/20 0.30

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
SCHEMBL29660301 0.91 AAK1 (0.42) AAK1NTRK1NTRK3NTRK2JAK2
SCHEMBL23931627 0.88 AAK1 (0.37) AAK1NTRK1NTRK3NTRK2CSNK2A1
SCHEMBL29660313 0.88 AAK1 (0.58) AAK1NTRK1NTRK3NTRK2CSNK2A1
SCHEMBL29660293 0.86 AAK1 (0.41) AAK1NTRK1NTRK3NTRK2JAK2
SCHEMBL29660281 0.86 AAK1 (0.43) AAK1NTRK1NTRK3NTRK2CSNK2A1
SCHEMBL29660254 0.83 AAK1 (0.56) AAK1CSNK2A1CAMK2DSMPD3TGFBR1
SCHEMBL29660252 0.81 AAK1 (0.42) AAK1NTRK1NTRK3NTRK2CSNK2A1
SCHEMBL23931628 0.80 TGFBR2 (0.36) AAK1NTRK1CSNK2A1CSNK2A2SMPD3
SCHEMBL23931614 0.79 NTRK1 (0.39) NTRK1NTRK3NTRK2JAK2JAK1
SCHEMBL29660261 0.76 AAK1 (0.52) AAK1NTRK1SMPD3JAK2JAK1

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 2 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
US-20220096481-A1 PYRAZOLO[1,5]PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TO TREAT VIRAL INFECTIONS OXFORD FINANCE LLC 2022-03-31 — — 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 (2 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 AAK1 4/4885NTRK1 1718/4885NTRK3 1844/4885
US-20220096481-A1 PYRAZOLO[1,5]PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TO TREAT VIRAL INFECTIONS IRAK1, SARS1, IRAK2 AAK1 4/4885NTRK1 1718/4885NTRK3 1844/4885

“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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