SCHEMBL4160294

SCHEMBL4160294

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(C#Cc4ccccc4)cc3c12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.48
FFAR4 Q5NUL3 5/20 0.48
GPR17 Q13304 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38

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
SCHEMBL4159518 0.89 FFAR1 (0.50) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL4165404 0.87 HPGD (0.42) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL4160259 0.87 GABRA1 (0.41) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL4162287 0.86 HPGD (0.38) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL4155562 0.85 MET (0.39) FFAR1FFAR4GPR17HPGDCYP2C19
SCHEMBL4159922 0.84 HPGD (0.41) GPR17HPGDCYP2C19
SCHEMBL4153837 0.84 GPR17 (0.45) FFAR1GPR17HPGDCYP2C19
SCHEMBL4171570 0.83 KDM4E (0.47) GPR17HPGDCYP2C19
SCHEMBL4155435 0.83 PPARG (0.52) FFAR1GPR17HPGDCYP2C19IP6K1
SCHEMBL4155216 0.81 GSK3B (0.40) GPR17HPGDCYP2C19

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 3984/4885FFAR4 4539/4885GPR17 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.