SCHEMBL23409918

SCHEMBL23409918

COc1cc(-c2cc(C(F)(F)F)c(=O)n(C(C)c3ccccc3)n2)ccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.48
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL29892204 1.00 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL23410343 0.93 MAPT (0.48) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL28846246 0.80 MAPT (0.47) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL29892224 0.79 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL23409914 0.79 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL23409851 0.75 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL29892471 0.75 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL23410210 0.73 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL29892742 0.73 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL29892342 0.73 PDE4A (0.69) PDE4DPDE4APDE4BPDE4CPDE3B

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
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 claimed
WO-2021105641-A1 N2-ARYLMETHYL-4-HALOALKYL-PYRIDAZIN-3-ONE CFTR MODULATORS FOR THE TREATMENT OF CYSTIC FIBROSIS UNIVERSITE DE REIMS CHAMPAGNE-ARDENNE (FR) 2021-06-03 WO claimed
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.