SCHEMBL4159922

SCHEMBL4159922

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(C(=O)c4ccccc4)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
GPR17 Q13304 1/20 0.41
CYP2C19 P33261 1/20 0.41
ELANE P08246 1/20 0.41
APEX1 P27695 1/20 0.40
PARP1 P09874 3/20 0.37
HTR7 P34969 1/20 0.36
PDPK1 O15530 1/20 0.36
TYMS P04818 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRD5A2 P31213 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
PARP2 Q9UGN5 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
SCHEMBL4169903 0.87 HTR1A (0.47) HPGDGPR17CYP2C19APEX1PARP1
SCHEMBL4171728 0.85 PARP1 (0.44) HPGDGPR17CYP2C19APEX1PARP1
SCHEMBL4161931 0.85 GPR17 (0.41) HPGDGPR17CYP2C19APEX1PARP1
SCHEMBL4153837 0.84 GPR17 (0.45) HPGDGPR17CYP2C19PARP1EGFR
SCHEMBL4160294 0.84 FFAR1 (0.48) HPGDGPR17CYP2C19
SCHEMBL4171570 0.84 KDM4E (0.47) HPGDGPR17CYP2C19PARP1PDPK1
SCHEMBL4155435 0.83 PPARG (0.52) HPGDGPR17CYP2C19
SCHEMBL3245758 0.83 BRD4 (0.56) PARP1TYMSALDH1A1RAB9ASMN1; SMN2
SCHEMBL4155432 0.82 CYP2C19 (0.44) HPGDGPR17CYP2C19PARP1KDM4E
SCHEMBL4169910 0.82 HPGD (0.44) HPGDGPR17CYP2C19APEX1PARP1

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 882/4885GPR17 2461/4885CYP2C19 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.