SCHEMBL29660251

SCHEMBL29660251

COc1ccccc1-c1cnn2ccc(N3CC[C@H](N(C)C(=O)OC(C)C)C3)nc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.51
▸ SMPD3 Q9NY59 9/20 0.43
▸ PDE10A Q9Y233 1/20 0.39
▸ ITGB2 P05107 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ ITGAL P20701 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ FLT3 P36888 2/20 0.37
▸ MCHR1 Q99705 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
SCHEMBL30102945 0.91 AAK1 (0.45) AAK1SMPD3
SCHEMBL29660285 0.91 AAK1 (0.45) AAK1SMPD3
SCHEMBL19466781 0.89 SMPD3 (0.48) AAK1SMPD3ITGB2ICAM1ITGAL
SCHEMBL29660245 0.89 AAK1 (0.50) AAK1SMPD3PDE10AITGB2ICAM1
SCHEMBL30102975 0.88 AAK1 (0.68) AAK1SMPD3PDE10A
SCHEMBL29660291 0.88 AAK1 (0.68) AAK1SMPD3PDE10A
SCHEMBL29660269 0.85 AAK1 (0.51) AAK1SMPD3
SCHEMBL19467270 0.85 AAK1 (0.45) AAK1SMPD3ITGB2ICAM1ITGAL
SCHEMBL30102999 0.85 AAK1 (0.45) AAK1SMPD3ITGB2ICAM1ITGAL
SCHEMBL19467271 0.85 AAK1 (0.45) AAK1SMPD3ITGB2ICAM1ITGAL

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 3682/4885PDE10A 4249/4885
US-20220096481-A1 PYRAZOLO[1,5]PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TO TREAT VIRAL INFECTIONS IRAK1, SARS1, IRAK2 AAK1 4/4885SMPD3 3682/4885PDE10A 4249/4885

“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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