SCHEMBL4172113

SCHEMBL4172113

O=C(O)c1c[nH]c2c(=O)[nH]c3cc(Cl)c(S(=O)(=O)Cl)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.40
CSNK2B P67870 3/20 0.40
CSNK2A1 P68400 3/20 0.40
PRKAB2 O43741 11/20 0.39
PRKAG1 P54619 11/20 0.39
PRKAA2 P54646 11/20 0.39
PRKAA1 Q13131 11/20 0.39
PRKAG3 Q9UGI9 11/20 0.39
PRKAG2 Q9UGJ0 11/20 0.39
PRKAB1 Q9Y478 11/20 0.39
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DYRK1A Q13627 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL4165083 0.87 CSNK2A2 (0.34) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL3254879 0.86 PRKAG1 (0.40) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL3247067 0.81 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL3244399 0.81 GAA (0.41) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL3244394 0.81 BCL2L1 (0.39) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL3253927 0.80 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL3253930 0.80 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL4169304 0.80 HSD17B10 (0.41) CSNK2A2CSNK2BCSNK2A1F7F3
Hydrochloric Acid SCHEMBL3250727 0.79 CSNK2A2 (0.32) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL3250722 0.79 CSNK2A2 (0.32) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 CSNK2A2 114/4885CSNK2B 99/4885CSNK2A1 84/4885

“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.