SCHEMBL29680541

SCHEMBL29680541

CN1CCN(CCCNCc2ccc(-c3nc(-c4ccc(CNCCCN5CCN(C)CC5)cc4)c4sccc4n3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
TLR7 Q9NYK1 4/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
RAD52 P43351 1/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
ACKR3 P25106 1/20 0.36
TLR8 Q9NR97 1/20 0.35
SRC P12931 1/20 0.35

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
Oxalic Acid SCHEMBL31735159 0.94 AKT1 (0.46) AKT1AKT2TLR7PDE4APDE4B
SCHEMBL29680577 0.84 AKT1 (0.47) AKT1AKT2TLR7CYP2C19CYP3A4
SCHEMBL29680354 0.80 AKT1 (0.48) AKT1AKT2CYP2C19CYP3A4CYP2D6
Oxalic Acid SCHEMBL31735151 0.80 AKT1 (0.45) AKT1AKT2PDE4BCYP2C19CYP3A4
SCHEMBL3181062 0.76 CYP2C19 (0.55) AKT1AKT2CYP2C19CYP3A4CYP2D6
SCHEMBL24528587 0.76 KDM4E (0.40) TLR7RAD52PIK3CAMTOR
SCHEMBL29681009 0.76 KDM4E (0.40) TLR7RAD52PIK3CAMTOR
Oxalic Acid SCHEMBL29680295 0.75 AKT1 (0.46) AKT1AKT2CYP2C19CYP3A4CYP2D6
SCHEMBL29680888 0.75 AKT1 (0.49) AKT1AKT2RAD52
SCHEMBL3171946 0.73 DPP7 (0.57) AKT1AKT2CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250360134-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INST NAT SANTE RECH MED (FR) 2025-11-27 US claimed
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP claimed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO claimed
US-20250360134-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INST NAT SANTE RECH MED (FR) 2025-11-27 US disclosed
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO 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-20250360134-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES SARS1, CCR5, INTS6 AKT1 4342/4885AKT2 4315/4885TLR7 54/4885

“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.