SCHEMBL29660313

SCHEMBL29660313

COc1ncccc1-c1cnn2ccc(N(C)CCN(C)C(=O)OC(C)C)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.58
▸ JAK2 O60674 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ PTK2 Q05397 2/20 0.37
▸ MTOR P42345 1/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ FYN P06241 1/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ GPBAR1 Q8TDU6 2/20 0.33
▸ SMPD3 Q9NY59 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ PSEN1 P49768 1/20 0.33

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
SCHEMBL29660254 0.95 AAK1 (0.56) AAK1JAK2JAK3PTK2MTOR
SCHEMBL29660305 0.88 AAK1 (0.44) AAK1JAK2JAK3PTK2MTOR
SCHEMBL29660281 0.88 AAK1 (0.43) AAK1CAMK2DNTRK1NTRK3NTRK2
SCHEMBL29660270 0.87 AAK1 (0.57) AAK1JAK2JAK3PTK2MTOR
SCHEMBL29660301 0.86 AAK1 (0.42) AAK1JAK2NTRK1NTRK3NTRK2
SCHEMBL16561386 0.86 AAK1 (0.56) AAK1JAK2JAK3PTK2MTOR
SCHEMBL16561392 0.85 AAK1 (0.55) AAK1JAK2JAK3PTK2MTOR
SCHEMBL29660252 0.82 AAK1 (0.42) AAK1NTRK1NTRK3NTRK2GPBAR1
SCHEMBL29660293 0.81 AAK1 (0.41) AAK1JAK2NTRK1NTRK3NTRK2
SCHEMBL31677677 0.81 AAK1 (0.48) AAK1JAK2JAK3PTK2FFAR4

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 4/4885JAK2 987/4885JAK3 659/4885
US-20220096481-A1 PYRAZOLO[1,5]PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TO TREAT VIRAL INFECTIONS IRAK1, SARS1, IRAK2 AAK1 4/4885JAK2 987/4885JAK3 659/4885

“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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