SCHEMBL29839274

SCHEMBL29839274

Cn1c(=O)n(CCC(=O)O)c(=O)c2[nH]cnc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.76
▸ PDE4B Q07343 10/20 0.76
▸ PDE4C Q08493 10/20 0.76
▸ PDE4D Q08499 10/20 0.76
▸ ADORA2A P29274 7/20 0.70
▸ ADORA2B P29275 8/20 0.68
▸ ADORA3 P0DMS8 5/20 0.64
▸ CFTR P13569 1/20 0.63
▸ ATAD2 Q6PL18 1/20 0.59
▸ CHIT1 Q13231 1/20 0.58
▸ CHIA Q9BZP6 1/20 0.58
▸ PIK3CD O00329 1/20 0.57
▸ ALPL P05186 1/20 0.57
▸ TMIGD3 P0DMS9 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ LMNA P02545 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ MAPT P10636 1/20 0.56

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
SCHEMBL29052513 0.97 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
Theophylline Anhydrous SCHEMBL31213692 0.94 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11293447 0.92 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL29528626 0.87 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DADORA2A
Water SCHEMBL27884201 0.86 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL31337165 0.85 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DADORA2A
Iodide SCHEMBL28973312 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7803025 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL28480801 0.83 CFTR (0.62) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7276490 0.83 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240342161-A1 BISBENZYLISOQUINOLINES AS CONDITIONING AGENTS FOR IMMUNE THERAPY Escend Pharmaceuticals, Inc. 2024-10-17 — — US disclosed
US-20240307373-A1 METHODS OF USE AND COMPOSITIONS OF BISBENZYLISOQUINOLINES FOR THE TREATMENT OF MALIGNANCIES Escend Pharmaceuticals, Inc. 2024-09-19 — — US disclosed
US-11951113-B2 Synergestic combination composition comprising a steroidal saponin, a first polyphenolic compound and a second polyphenolic compound NEURALIA (FR) 2024-04-09 — — US disclosed
EP-3592332-B1 NOVEL VISCOELASTIC SOLUTION AND USE THEREOF IN RHUMATOLOGY LABORATOIRE DE RHUMATOLOGIE APPLIQUEE (FR) 2023-06-07 — — EP disclosed
EP-3801556-B1 SYNERGESTIC COMBINATION COMPOSITION COMPRISING A STEROIDAL SAPONIN, A FIRST POLYPHENOLIC COMPOUND AND A SECOND POLYPHENOLIC COMPOUND NEURALIA (FR) 2022-09-07 — — EP 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-20240307373-A1 METHODS OF USE AND COMPOSITIONS OF BISBENZYLISOQUINOLINES FOR THE TREATMENT OF MALIGNANCIES MCL1, MYD88, BCL6B PDE4A 422/4885PDE4B 283/4885PDE4C 742/4885
US-20240342161-A1 BISBENZYLISOQUINOLINES AS CONDITIONING AGENTS FOR IMMUNE THERAPY NFATC1, CTNNB1, CAMK1D PDE4A 2365/4885PDE4B 2628/4885PDE4C 2533/4885

“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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