SCHEMBL4166406

SCHEMBL4166406

CC(C)(C)OC(=O)Nc1ccc(-c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
SERPINE1 P05121 4/20 0.40
CYP17A1 P05093 4/20 0.38
SCN9A Q15858 2/20 0.37
JAK2 O60674 1/20 0.36
PSMB8 P28062 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SREBF2 Q12772 1/20 0.35
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL4155388 0.92 CYP17A1 (0.42) SERPINE1CYP17A1SCN9AJAK2GABRA1
SCHEMBL4160163 0.86 TRPV1 (0.41) SERPINE1SCN9AGABRA1GABRG2GABRB3
SCHEMBL3245555 0.84 MAP4K4 (0.44) MAP4K4SERPINE1CYP17A1SCN9AJAK2
SCHEMBL4153837 0.82 GPR17 (0.45) HPGDCYP2C19
SCHEMBL4167717 0.81 PDGFRB (0.49) SERPINE1HPGDCYP2C19MTNR1AMTNR1B
SCHEMBL3243050 0.81 MAP4K4 (0.41) MAP4K4CYP17A1SCN9AJAK2GABRA1
SCHEMBL4162598 0.80 HPGD (0.52) SERPINE1SCN9AHPGDCYP2C19
SCHEMBL3251646 0.79 MAP4K4 (0.40) MAP4K4CYP17A1SCN9AJAK2PSMB8
SCHEMBL4165158 0.79 MME (0.42) MAP4K4CYP17A1HPGD
SCHEMBL3246300 0.79 HPGD (0.47) HPGDCYP2C19CYP1A2NQO2MTNR1A

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 MAP4K4 44/4885SERPINE1 999/4885CYP17A1 2672/4885

“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.