SCHEMBL4176378

SCHEMBL4176378

O=C(O)CCc1c[nH]c2c(=O)[nH]c3cc(Cl)c(I)cc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 10/20 0.48
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
FBP1 P09467 1/20 0.34
PARP1 P09874 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL4163219 0.84 GPR17 (0.38) GPR17HPGDCYP2C19GRIN2DGRIN3B
SCHEMBL4169910 0.81 HPGD (0.44) GPR17HPGDCYP2C19PARP1NPSR1
SCHEMBL4166114 0.81 GPR17 (0.53) GPR17HPGDCYP2C19PARP1S1PR1
SCHEMBL3247067 0.80 CSNK2A2 (0.43) PRKAG1PRKAA2PRKAA1PRKAB1GRIN2D
SCHEMBL4162592 0.78 RET (0.44) GPR17HPGDCYP2C19GRIN2DGRIN3B
SCHEMBL4160621 0.77 MPO (0.49) GPR17HPGDCYP2C19
SCHEMBL4155432 0.77 CYP2C19 (0.44) GPR17HPGDCYP2C19PARP1GRIN2D
SCHEMBL4165123 0.77 HPGD (0.63) GPR17HPGDCYP2C19PARP1NPSR1
SCHEMBL4159537 0.77 MPO (0.43) GPR17HPGDCYP2C19PARP1
SCHEMBL4155350 0.77 GPR17 (0.46) GPR17HPGDCYP2C19PRKAG1PRKAA2

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 GPR17 2461/4885HPGD 882/4885CYP2C19 4277/4885

“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.