SCHEMBL4163300

SCHEMBL4163300

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)c4ccccc4F)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
BRD4 O60885 6/20 0.43
ITK Q08881 1/20 0.39
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
BRAF P15056 1/20 0.37
SGK1 O00141 1/20 0.37

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
SCHEMBL4176361 0.90 BRD4 (0.56) HTR6BRD4
SCHEMBL4158099 0.88 BRD4 (0.54) HTR6PTGDR2BRD4AURKAAURKB
SCHEMBL4155597 0.86 HTR6 (0.45) HTR6PTGDR2BRD4BRAF
SCHEMBL4160914 0.85 PTGDR2 (0.45) HTR6PTGDR2BRD4ITKAURKA
SCHEMBL3253600 0.84 BRD4 (0.46) HTR6PTGDR2BRD4ITKAURKA
SCHEMBL4166792 0.84 PTGDR2 (0.41) HTR6PTGDR2BRD4BRAF
SCHEMBL4157748 0.83 BRD4 (0.57) HTR6PTGDR2BRD4
SCHEMBL4159606 0.83 SPR (0.46) HTR6BRD4
SCHEMBL4157612 0.83 BRD4 (0.58) BRD4AURKAAURKBBRAFSGK1
SCHEMBL4163279 0.83 PKM (0.48) HTR6BRD4BRAF

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 HTR6 4018/4885PTGDR2 789/4885BRD4 545/4885

“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.