SCHEMBL4169903

SCHEMBL4169903

CC(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
APEX1 P27695 1/20 0.44
HPGD P15428 2/20 0.43
CYP2C19 P33261 1/20 0.43
PARP1 P09874 3/20 0.40
GPR17 Q13304 1/20 0.40
KIF11 P52732 1/20 0.39
HTR7 P34969 2/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
SLC2A1 P11166 1/20 0.36
CDK2 P24941 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
EGFR P00533 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4171728 0.87 PARP1 (0.44) HTR1AHTR1DHTR1BAPEX1HPGD
SCHEMBL4161931 0.87 GPR17 (0.41) HTR1AHTR1DHTR1BAPEX1HPGD
SCHEMBL4159922 0.87 HPGD (0.41) APEX1HPGDCYP2C19PARP1GPR17
SCHEMBL3246300 0.86 HPGD (0.47) HPGDCYP2C19PARP1KDM4EHSD17B10
SCHEMBL4162383 0.84 MAPT (0.46) HPGDSMN1; SMN2MEN1HTR6KMT2A
SCHEMBL4160621 0.84 MPO (0.49) HTR1AHPGDCYP2C19GPR17KDM4E
SCHEMBL4169910 0.84 HPGD (0.44) APEX1HPGDCYP2C19PARP1GPR17
SCHEMBL4155432 0.84 CYP2C19 (0.44) HPGDCYP2C19PARP1GPR17CDK2
SCHEMBL4165123 0.84 HPGD (0.63) HTR1AHTR1DHTR1BAPEX1HPGD
SCHEMBL4165294 0.84 APEX1 (0.39) HTR1AHTR1BAPEX1HPGDCYP2C19

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 HTR1A 4294/4885HTR1D 4632/4885HTR1B 4141/4885

“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.