SCHEMBL4160259

SCHEMBL4160259

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRA6 Q16445 2/20 0.41
GABRA4 P48169 2/20 0.41
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
GPR17 Q13304 1/20 0.36
S1PR1 P21453 1/20 0.34
FFAR1 O14842 12/20 0.34
FFAR4 Q5NUL3 8/20 0.34
APEX1 P27695 1/20 0.33
EGFR P00533 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
SCHEMBL4162287 0.85 HPGD (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4155562 0.84 MET (0.39) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL4165404 0.84 HPGD (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4159518 0.84 FFAR1 (0.50) HPGDCYP2C19GPR17FFAR1FFAR4
SCHEMBL3248945 0.82 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4159597 0.80 MMP13 (0.41) HPGDCYP2C19
SCHEMBL4169903 0.79 HTR1A (0.47) HPGDCYP2C19GPR17APEX1EGFR
SCHEMBL4155216 0.79 GSK3B (0.40) HPGDCYP2C19GPR17EGFR
SCHEMBL4155432 0.79 CYP2C19 (0.44) HPGDCYP2C19GPR17FFAR1

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 GABRA1 3395/4885GABRG2 2327/4885GABRB3 2308/4885

“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.