SCHEMBL4159412

SCHEMBL4159412

Cn1ccc(-c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
CYP2C19 P33261 1/20 0.38
GPR17 Q13304 1/20 0.35
S1PR1 P21453 5/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
IKBKB O14920 1/20 0.33
APEX1 P27695 1/20 0.33
EGFR P00533 2/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
PARP1 P09874 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
PDE9A O76083 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3244810 0.83 KDM4E (0.40) HPGDCYP2C19MAPTPARP1GAA
SCHEMBL4153837 0.82 GPR17 (0.45) HPGDCYP2C19GPR17MAPTIKBKB
SCHEMBL4159508 0.82 HPGD (0.39) HPGDCYP2C19GPR17S1PR1ALDH1A1
SCHEMBL4153295 0.81 PARP1 (0.47) HPGDCYP2C19ALDH1A1MAPTPARP1
SCHEMBL4162598 0.81 HPGD (0.52) HPGDCYP2C19GPR17S1PR1IKBKB
SCHEMBL4167717 0.80 PDGFRB (0.49) HPGDCYP2C19GPR17ALDH1A1MAPT
SCHEMBL4155441 0.80 PARP1 (0.46) HPGDCYP2C19ALDH1A1MAPTPARP1
SCHEMBL4159498 0.79 PDPK1 (0.39) HPGDCYP2C19GPR17S1PR1IKBKB
SCHEMBL4155187 0.79 HPGD (0.38) HPGDCYP2C19GPR17IKBKBAPEX1
SCHEMBL4157705 0.79 HPGD (0.41) HPGDCYP2C19GPR17IKBKBKDR

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.