SCHEMBL4157600

SCHEMBL4157600

O=C(O)C1(c2c[nH]c3c(=O)[nH]c4ccc(S(=O)(=O)NC5CCNCC5)cc4c23)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.45
TDP1 Q9NUW8 1/20 0.41
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.38
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 1/20 0.34
WNT3 P56703 1/20 0.34
SFRP1 Q8N474 1/20 0.34
BACE1 P56817 1/20 0.33
BRD4 O60885 3/20 0.33
CCR8 P51685 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
JAK3 P52333 1/20 0.32
ROCK1 Q13464 1/20 0.32
PIK3CG P48736 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 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
SCHEMBL4162570 0.89 PARG (0.43) PARGTDP1BRAFALDH1A1LMNA
SCHEMBL3245470 0.83 PARG (0.50) PARGTDP1BRAFKDRALDH1A1
SCHEMBL4162549 0.81 PARG (0.48) PARGTDP1BRAFKDRALDH1A1
SCHEMBL3255497 0.80 TDP1 (0.42) PARGTDP1BRAFKDRALDH1A1
SCHEMBL4168574 0.79 PARG (0.46) PARGTDP1BRAFKDRALDH1A1
SCHEMBL3255208 0.79 PARG (0.48) PARGTDP1BRAFKDRALDH1A1
SCHEMBL13928154 0.79 PARG (0.46) PARGTDP1BRAFKDRALDH1A1
SCHEMBL4164931 0.78 PARG (0.45) PARGTDP1BRAFKDRALDH1A1
SCHEMBL3250757 0.78 PARG (0.46) PARGTDP1BRAFKDRALDH1A1
SCHEMBL3242536 0.77 TDP1 (0.53) PARGTDP1BRAFALDH1A1LMNA

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 2 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 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 PARG 3507/4885TDP1 1098/4885BRAF 38/4885

“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.