SCHEMBL4159531

SCHEMBL4159531

CC(=O)N1CCN(c2nccc(-c3ccc4[nH]c(=O)c5[nH]cc(CCC(=O)O)c5c4c3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ACHE P22303 4/20 0.38
DKK1 O94907 1/20 0.37
HTR1A P08908 4/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GLA P06280 1/20 0.35
GRIA1 P42261 1/20 0.35
LRRK2 Q5S007 1/20 0.35
FAAH O00519 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CHEK1 O14757 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
FLT3 P36888 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
SCHEMBL4165480 0.88 ALDH1A1 (0.41) MAPTDKK1HTR1AHCRTR1HCRTR2
SCHEMBL3249994 0.86 HCAR2 (0.42) MAPTACHEDKK1GRIA1LRRK2
SCHEMBL3249064 0.82 MAPT (0.39) MAPTACHEDKK1LRRK2CHEK1
SCHEMBL3250117 0.81 MAPT (0.38) MAPTACHEDKK1LRRK2CHEK1
SCHEMBL4159498 0.81 PDPK1 (0.39)
SCHEMBL4157705 0.81 HPGD (0.41)
Propionic Acid SCHEMBL4159539 0.81 MAPT (0.41) MAPTACHEDKK1GRIA1LRRK2
SCHEMBL4169945 0.80 AURKA (0.43) FLT3
SCHEMBL4160172 0.79 PDPK1 (0.43)
Formic Acid SCHEMBL4160207 0.78 AURKA (0.41) FLT3

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 MAPT 734/4885ACHE 2453/4885DKK1 2329/4885

“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.