SCHEMBL4159508

SCHEMBL4159508

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4cc[nH]n4)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
CYP2C19 P33261 1/20 0.39
GPR17 Q13304 1/20 0.37
PARP1 P09874 1/20 0.35
S1PR1 P21453 6/20 0.35
SERPINE1 P05121 2/20 0.32
CHEK1 O14757 1/20 0.32
IKBKB O14920 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APEX1 P27695 1/20 0.32
EGFR P00533 2/20 0.32
PDGFRB P09619 2/20 0.32
FGFR1 P11362 2/20 0.32
KDR P35968 2/20 0.32
TYMS P04818 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
SCHEMBL4153837 0.84 GPR17 (0.45) HPGDCYP2C19GPR17PARP1IKBKB
SCHEMBL4160146 0.82 NPC1 (0.42) HPGDCYP2C19GPR17PARP1SERPINE1
SCHEMBL4162598 0.82 HPGD (0.52) HPGDCYP2C19GPR17PARP1S1PR1
SCHEMBL4159412 0.82 HPGD (0.38) HPGDCYP2C19GPR17PARP1S1PR1
SCHEMBL3242991 0.82 CYP1A2 (0.39) HPGDPARP1KDM4EALDH1A1HSD17B10
SCHEMBL4167717 0.82 PDGFRB (0.49) HPGDCYP2C19GPR17SERPINE1KDM4E
SCHEMBL4155441 0.81 PARP1 (0.46) HPGDCYP2C19PARP1KDM4EALDH1A1
SCHEMBL4157705 0.81 HPGD (0.41) HPGDCYP2C19GPR17IKBKBKDR
SCHEMBL4153295 0.81 PARP1 (0.47) HPGDCYP2C19PARP1KDM4EALDH1A1
SCHEMBL4166164 0.80 GPR17 (0.40) HPGDCYP2C19GPR17PARP1S1PR1

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.