SCHEMBL4704331

SCHEMBL4704331

Cc1cc(I)cc2c(=O)c(C(=O)O)n[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.37
PARP4 Q9UKK3 1/20 0.36
DAO P14920 1/20 0.34
PRKAG1 P54619 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
KMT2A Q03164 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
DYRK1A Q13627 3/20 0.32
CDK9 P50750 2/20 0.32
DYRK2 Q92630 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
HAO2 Q9NYQ3 1/20 0.32

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
SCHEMBL4608335 0.82 POLB (0.48) KMT2A
SCHEMBL14007390 0.79 CYP1A2 (0.43) PARP4DYRK1A
SCHEMBL4932564 0.74 PRKAG1 (0.45) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL5320553 0.73 CSNK2A1 (0.50) KMT2A
SCHEMBL14184929 0.68 HCAR2 (0.42) HCAR2DAOPRKAG1PRKAA1PRKAB1
SCHEMBL6885305 0.67 ALDH1A1 (0.42) HCAR2DAOKMT2A
SCHEMBL8258156 0.67 PARP4 (0.38) PARP4DAOKMT2A
SCHEMBL27037937 0.66 HCAR2 (0.46) HCAR2DAOKMT2AHAO2
SCHEMBL16235687 0.66 MCL1 (0.46) HCAR2KMT2AHAO1HAO2
SCHEMBL4649345 0.66 PARP4 (0.37) PARP4DAO

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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1945616-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 WO disclosed
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B HCAR2 1173/4885PARP4 96/4885DAO 783/4885

“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.