SCHEMBL4162287

SCHEMBL4162287

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE2A O00408 1/20 0.37
PIKFYVE Q9Y2I7 6/20 0.37
TTBK1 Q5TCY1 3/20 0.37
GPR17 Q13304 1/20 0.35
MAP3K14 Q99558 3/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
FFAR1 O14842 7/20 0.33
FFAR4 Q5NUL3 6/20 0.33
PAK4 O96013 1/20 0.33
PRKX P51817 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
TSSK3 Q96PN8 1/20 0.33
TSSK1B Q9BXA7 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33

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 0.86 FFAR1 (0.48) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL4160259 0.85 GABRA1 (0.41) HPGDCYP2C19GPR17GABRA1GABRG2
SCHEMBL4155562 0.83 MET (0.39) HPGDCYP2C19PIKFYVEGPR17FFAR1
SCHEMBL4165404 0.83 HPGD (0.42) HPGDCYP2C19GPR17GABRA1GABRG2
SCHEMBL3248798 0.83 PIKFYVE (0.39) HPGDPDE2APIKFYVETTBK1MAP3K14
SCHEMBL4162419 0.80 HPGD (0.39) HPGDCYP2C19GPR17GABRA1FFAR1
SCHEMBL4159518 0.79 FFAR1 (0.50) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL4169903 0.78 HTR1A (0.47) HPGDCYP2C19GPR17APEX1
SCHEMBL4155216 0.78 GSK3B (0.40) HPGDCYP2C19GPR17
SCHEMBL4169910 0.78 HPGD (0.44) HPGDCYP2C19GPR17APEX1

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 4277/4885PDE2A 983/4885

“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.