SCHEMBL4165404

SCHEMBL4165404

C#Cc1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
CYP2C19 P33261 1/20 0.42
GPR17 Q13304 1/20 0.39
FFAR1 O14842 2/20 0.39
PARP1 P09874 1/20 0.35
APEX1 P27695 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRA6 Q16445 2/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
EGFR P00533 1/20 0.33
TYMS P04818 1/20 0.33
FASN P49327 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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 0.87 FFAR1 (0.48) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL4160259 0.84 GABRA1 (0.41) HPGDCYP2C19GPR17FFAR1APEX1
SCHEMBL4162287 0.83 HPGD (0.38) HPGDCYP2C19GPR17FFAR1APEX1
SCHEMBL4155216 0.83 GSK3B (0.40) HPGDCYP2C19GPR17EGFRFASN
SCHEMBL4165123 0.83 HPGD (0.63) HPGDCYP2C19GPR17PARP1APEX1
SCHEMBL4155432 0.83 CYP2C19 (0.44) HPGDCYP2C19GPR17FFAR1PARP1
SCHEMBL4169910 0.83 HPGD (0.44) HPGDCYP2C19GPR17PARP1APEX1
SCHEMBL4160621 0.83 MPO (0.49) HPGDCYP2C19GPR17MTNR1AMTNR1B
SCHEMBL4155562 0.83 MET (0.39) HPGDCYP2C19GPR17FFAR1APEX1
Hydrochloric Acid SCHEMBL4161691 0.82 HPGD (0.62) HPGDCYP2C19GPR17PARP1APEX1

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.