SCHEMBL4159518

SCHEMBL4159518

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(C#Cc4ccccn4)cc3c12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.50
NPC1 O15118 3/20 0.38
HCRTR1 O43613 3/20 0.38
RAB9A P51151 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
HAO1 Q9UJM8 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ERN1 O75460 1/20 0.36
POLB P06746 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GPR17 Q13304 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4160294 0.89 FFAR1 (0.48) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL4160259 0.84 GABRA1 (0.41) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL3254573 0.84 HAO1 (0.41) FFAR1NPC1HCRTR1RAB9AHAO1
SCHEMBL4165404 0.80 HPGD (0.42) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL4162287 0.79 HPGD (0.38) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL3251902 0.79 GABRA1 (0.43) NPC1HCRTR1RAB9ATDP1POLB
SCHEMBL4155562 0.79 MET (0.39) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL4159922 0.78 HPGD (0.41) RAB9AGPR17HPGDCYP2C19
SCHEMBL4153837 0.77 GPR17 (0.45) FFAR1GPR17HPGDCYP2C19
SCHEMBL3250695 0.77 NPC1 (0.40) FFAR1NPC1HCRTR1RAB9AHAO1

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 FFAR1 3984/4885NPC1 3366/4885HCRTR1 4098/4885

“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.