SCHEMBL6963169

SCHEMBL6963169

COc1ccc(C(=O)O)c2c1nc(C(F)(F)F)n2C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.63
PDE4A P27815 11/20 0.63
PDE4C Q08493 11/20 0.63
PDE4D Q08499 11/20 0.63
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
MYC P01106 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL6962818 0.84 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6957343 0.78 PDE4A (0.63) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6963380 0.78 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6954457 0.78 PDE4D (1.00) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL6950495 0.78 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL1554931 0.73 PDE4D (0.65) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL2671425 0.73 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE11A
Hydrochloric Acid SCHEMBL8575508 0.73 PDE4D (0.64) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6173638 0.69 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3944126 0.69 ALDH1A1 (0.46) PDE4BPDE4APDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 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-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A PDE4B 12/4885PDE4A 9/4885PDE4C 16/4885

“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.