SCHEMBL29660291

SCHEMBL29660291

COc1ncccc1-c1cnn2ccc(N3CC[C@H](N(C)C(=O)OC(C)C)C3)nc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.68
▸ SMPD3 Q9NY59 8/20 0.41
▸ NTRK1 P04629 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL30102975 1.00 AAK1 (0.68) AAK1SMPD3NTRK1JAK2JAK3
SCHEMBL29660328 0.94 AAK1 (0.69) AAK1SMPD3NTRK1JAK2JAK3
SCHEMBL19466999 0.90 AAK1 (0.61) AAK1SMPD3NTRK1JAK2JAK3
SCHEMBL29660261 0.88 AAK1 (0.52) AAK1SMPD3NTRK1JAK2
SCHEMBL29660269 0.88 AAK1 (0.51) AAK1SMPD3
SCHEMBL29660251 0.88 AAK1 (0.51) AAK1SMPD3PDE10A
SCHEMBL29660275 0.88 AAK1 (0.51) AAK1NTRK1JAK2
SCHEMBL19466998 0.86 AAK1 (0.50) AAK1SMPD3PDE10A
SCHEMBL19466997 0.86 AAK1 (0.50) AAK1SMPD3PDE10A
SCHEMBL19466712 0.86 AAK1 (0.57) AAK1SMPD3NTRK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677705-A AAK1 inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2023-02-03 — — CN claimed
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
CN-115677705-A AAK1 inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2023-02-03 — — CN 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 3682/4885NTRK1 1718/4885
US-20220096481-A1 PYRAZOLO[1,5]PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TO TREAT VIRAL INFECTIONS IRAK1, SARS1, IRAK2 AAK1 4/4885SMPD3 3682/4885NTRK1 1718/4885

“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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