SCHEMBL29892471

SCHEMBL29892471

COc1ccc(Cn2nc(-c3ccc(OC(F)F)c(OC)c3)cc(C(F)(F)F)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.48
PDE4A P27815 7/20 0.48
PDE4B Q07343 7/20 0.48
PDE4C Q08493 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
MAPT P10636 3/20 0.43
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL23409851 1.00 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL23410164 0.92 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL29892224 0.90 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL23409914 0.90 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL23410210 0.86 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL29892742 0.86 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL23409921 0.84 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL29893357 0.83 PDE4A (0.69) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL23409872 0.83 PDE4A (0.69) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL23443637 0.82 PDE4A (0.64) PDE4DPDE4APDE4BPDE4CTP53

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
CN-114945368-B N2-arylmethyl-4-haloalkyl-pyridazin-3-one compounds and uses thereof 香槟-阿尔登兰斯大学 2025-01-10 CN claimed
CN-114945368-A N2-arylmethyl-4-haloalkyl-pyridazin-3-one compounds and uses thereof 香槟-阿尔登兰斯大学 2022-08-26 CN claimed
CN-114945368-B N2-arylmethyl-4-haloalkyl-pyridazin-3-one compounds and uses thereof 香槟-阿尔登兰斯大学 2025-01-10 CN disclosed
US-20230013304-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2023-01-19 US disclosed
CN-114945368-A N2-arylmethyl-4-haloalkyl-pyridazin-3-one compounds and uses thereof 香槟-阿尔登兰斯大学 2022-08-26 CN 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-20230013304-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SCNN1B PDE4D 846/4885PDE4A 513/4885PDE4B 712/4885

“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.