SCHEMBL4163697

SCHEMBL4163697

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(-c4csc(C5CCNCC5)n4)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
BAZ2A Q9UIF9 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PARP1 P09874 15/20 0.36
AOC3 Q16853 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
SCHEMBL3251360 0.85 HPGDS (0.42) HPGDSBAZ2ATLR9TLR8TLR7
SCHEMBL4155441 0.83 PARP1 (0.46) PARP1
SCHEMBL4153295 0.83 PARP1 (0.47) PARP1
SCHEMBL4157997 0.82 RAB9A (0.47) PARP1
SCHEMBL3251763 0.81 BAZ2A (0.42) HPGDSBAZ2ATLR9TLR8TLR7
SCHEMBL4155345 0.81 ALDH1A1 (0.45)
SCHEMBL3251324 0.80 BAZ2A (0.42) HPGDSBAZ2ATLR9TLR8TLR7
Propionic Acid SCHEMBL4163705 0.79 BAZ2A (0.42) HPGDSBAZ2ATLR9TLR8TLR7
SCHEMBL4164423 0.78 CSNK2A1 (0.46) PARP1
SCHEMBL4160650 0.78 PARP1 (0.39) PARP1

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 HPGDS 500/4885BAZ2A 1041/4885TLR9 2927/4885

“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.