SCHEMBL4155191

SCHEMBL4155191

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)O)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
CYP2C19 P33261 1/20 0.42
GPR17 Q13304 1/20 0.39
PARP1 P09874 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KDR P35968 2/20 0.36
APEX1 P27695 2/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
F2 P00734 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4162915 0.90 PDGFRB (0.46) HPGDCYP2C19GPR17KDRPDGFRB
SCHEMBL4160657 0.87 HTR7 (0.47) HPGDCYP2C19GPR17PARP1ALDH1A1
SCHEMBL4162942 0.87 KDM4E (0.44) HPGDCYP2C19GPR17ALDH1A1KDM4E
SCHEMBL4170125 0.87 KDM4E (0.47) HPGDCYP2C19ALDH1A1KDM4EMAPT
SCHEMBL4162519 0.86 DAO (0.42) HPGDCYP2C19GPR17PARP1ALDH1A1
SCHEMBL4163279 0.85 PKM (0.48) PARP1MAPTTDP1
SCHEMBL4157677 0.84 GAA (0.53) HPGDALDH1A1KDM4EKDRF2
SCHEMBL4174088 0.84 HSD17B10 (0.53) HPGDCYP2C19ALDH1A1KDM4EKDR
SCHEMBL4155187 0.84 HPGD (0.38) HPGDCYP2C19GPR17KDM4EKDR
SCHEMBL4160987 0.84 EGLN2 (0.40) HPGDCYP2C19GPR17ALDH1A1KDM4E

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
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 HPGD 882/4885CYP2C19 4277/4885GPR17 2461/4885

“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.