SCHEMBL29660252

SCHEMBL29660252

COc1nc(C)ccc1-c1cnn2ccc(N(C)CCCN(C)C(=O)OC(C)C)nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.42
▸ SMPD3 Q9NY59 2/20 0.35
▸ CSNK2A1 P68400 2/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ RET P07949 1/20 0.31
▸ APOBEC3A P31941 1/20 0.30
▸ APOBEC3G Q9HC16 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
SCHEMBL29660281 0.95 AAK1 (0.43) AAK1SMPD3CSNK2A1PRKAB2PRKAG1
SCHEMBL23931659 0.88 SMPD3 (0.38) AAK1SMPD3CSNK2A1PRKAB2PRKAG1
SCHEMBL29660254 0.88 AAK1 (0.56) AAK1SMPD3CSNK2A1GPBAR1
SCHEMBL29660293 0.85 AAK1 (0.41) AAK1NTRK1NTRK3NTRK2GPBAR1
SCHEMBL29660313 0.82 AAK1 (0.58) AAK1SMPD3CSNK2A1NTRK1NTRK3
SCHEMBL23931621 0.82 SMPD3 (0.39) AAK1SMPD3CSNK2A1PRKAB2PRKAG1
SCHEMBL29660305 0.81 AAK1 (0.44) AAK1SMPD3CSNK2A1CSNK2A2NTRK1
SCHEMBL23931661 0.80 SMPD3 (0.35) AAK1SMPD3CSNK2A1PRKAB2PRKAG1
SCHEMBL29660301 0.79 AAK1 (0.42) AAK1NTRK1NTRK3NTRK2GPBAR1
SCHEMBL28903935 0.78 SMPD3 (0.39) AAK1SMPD3CSNK2A1PRKAB2PRKAG1

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 4/4885SMPD3 3682/4885CSNK2A1 376/4885
US-20220096481-A1 PYRAZOLO[1,5]PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TO TREAT VIRAL INFECTIONS IRAK1, SARS1, IRAK2 AAK1 4/4885SMPD3 3682/4885CSNK2A1 376/4885

“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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