SCHEMBL29324591

SCHEMBL29324591

N#CC1(c2ccc3c(NC(=O)c4ccc(Nc5ncccn5)cc4)ncnn23)OC(CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.73
▸ JAK2 O60674 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ BMPR1B O00238 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ CIT O14578 1/20 0.32
▸ GAK O14976 1/20 0.32
▸ OPA1 O60313 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ STK16 O75716 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ MARK3 P27448 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ BMPR1A P36894 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ STAT5A P42229 1/20 0.32

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
SCHEMBL24791785 0.89 TMPRSS2 (0.79) TMPRSS2ADORA1
SCHEMBL29324584 0.87 TMPRSS2 (0.79) TMPRSS2
SCHEMBL25909952 0.81 TMPRSS2 (0.68) TMPRSS2
SCHEMBL25915257 0.79 TMPRSS2 (0.59) TMPRSS2ADORA1
SCHEMBL24667606 0.79 TMPRSS2 (0.65) TMPRSS2
SCHEMBL24789761 0.79 TMPRSS2 (0.67) TMPRSS2ADORA1
SCHEMBL23959988 0.79 TMPRSS2 (0.66) TMPRSS2
SCHEMBL30960132 0.78 TMPRSS2 (0.71) TMPRSS2
SCHEMBL30973741 0.78 TMPRSS2 (0.66) TMPRSS2
SCHEMBL30973747 0.78 TMPRSS2 (0.66) TMPRSS2

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-20240226128-A1 NOVEL COMPOUNDS WITH DUAL INHIBITION ACTIVITY AGAINST SARS-COV-2 CRITICAL ENZYMES RDRP, MPRO AND HUMAN TMPRSS2 UNIVERSITY OF SHARJAH (AE) 2024-07-11 — — US disclosed
US-20240226128-A1 NOVEL COMPOUNDS WITH DUAL INHIBITION ACTIVITY AGAINST SARS-COV-2 CRITICAL ENZYMES RDRP, MPRO AND HUMAN TMPRSS2 UNIVERSITY OF SHARJAH (AE) 2024-07-11 — — 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 (1 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-20240226128-A1 NOVEL COMPOUNDS WITH DUAL INHIBITION ACTIVITY AGAINST SARS-COV-2 CRITICAL ENZYMES RDRP, MPRO AND HUMAN TMPRSS2 TMPRSS2, ACE2, TMPRSS4 TMPRSS2 1/4885JAK2 2734/4885JAK3 3285/4885

“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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