SCHEMBL4160146

SCHEMBL4160146

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4ccc5[nH]ccc5c4)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.39
PARP1 P09874 1/20 0.38
GPR17 Q13304 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
LTB4R Q15722 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ENPP2 Q13822 1/20 0.37
METAP2 P50579 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MAP3K11 Q16584 1/20 0.35
HDAC2 Q92769 1/20 0.35
SERPINE1 P05121 1/20 0.35
HCRTR1 O43613 1/20 0.35
CLK1 P49759 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
SCHEMBL4153837 0.87 GPR17 (0.45) HPGDCYP2C19PARP1GPR17
SCHEMBL4162598 0.85 HPGD (0.52) HPGDCYP2C19PARP1GPR17SERPINE1
SCHEMBL4166164 0.83 GPR17 (0.40) HPGDCYP2C19PARP1GPR17
SCHEMBL4159508 0.82 HPGD (0.39) HPGDCYP2C19PARP1GPR17SERPINE1
SCHEMBL4167717 0.82 PDGFRB (0.49) HPGDCYP2C19GPR17SERPINE1DYRK1A
SCHEMBL4157563 0.82 HPGD (0.49) HPGDCYP2C19PARP1GPR17
SCHEMBL4155216 0.82 GSK3B (0.40) HPGDCYP2C19GPR17SERPINE1
SCHEMBL4163088 0.82 GRIN2D (0.45) HPGDCYP2C19PARP1GPR17
SCHEMBL4155187 0.82 HPGD (0.38) HPGDCYP2C19PTGS2GPR17
SCHEMBL3245574 0.81 NPC1 (0.43) NPC1PTGS2CASP3SENP7SENP6

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 NPC1 3366/4885HPGD 882/4885CYP2C19 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.