SCHEMBL4163004

SCHEMBL4163004

O=C(O)CCCCCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CCNCC4)cc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.43
BRAF P15056 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PTGDR Q13258 3/20 0.38
KDR P35968 1/20 0.37
TBXA2R P21731 2/20 0.36
KDM4E B2RXH2 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 1/20 0.33
ATXN2 Q99700 1/20 0.33

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
SCHEMBL4165046 0.99 PARG (0.44) PARGBRAFTDP1PTGDRKDR
SCHEMBL4164931 0.97 PARG (0.45) PARGBRAFTDP1PTGDRKDR
SCHEMBL4168574 0.93 PARG (0.46) PARGBRAFTDP1PTGDRKDR
SCHEMBL4161246 0.92 PARG (0.50) PARGBRAFTDP1PTGDRTBXA2R
SCHEMBL4162549 0.88 PARG (0.48) PARGBRAFTDP1PTGDRKDR
SCHEMBL4153573 0.88 PARG (0.52) PARGBRAFTDP1PTGDRTBXA2R
SCHEMBL4157648 0.85 TDP1 (0.50) PARGBRAFTDP1ALDH1A1HPGD
SCHEMBL4153172 0.85 TDP1 (0.50) PARGBRAFTDP1ALDH1A1HPGD
SCHEMBL4163333 0.82 PARG (0.43) PARGBRAFTDP1PTGDRKDR
SCHEMBL4163985 0.82 HTR2C (0.40) PARGPTGDRKDM4EGRIN2DGRIN3B

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

“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.