SCHEMBL4167129

SCHEMBL4167129

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4cc(F)cc(F)c4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
PKM P14618 3/20 0.39
BRAF P15056 2/20 0.39
ACLY P53396 1/20 0.39
PDE3A Q14432 1/20 0.38
PARP1 P09874 1/20 0.37
MAPT P10636 6/20 0.37
KDM4E B2RXH2 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
CRHBP P24387 1/20 0.36

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
SCHEMBL4161137 0.93 POLB (0.50) POLBPKMBRAFPDE3AMAPT
SCHEMBL4163279 0.90 PKM (0.48) POLBPKMBRAFPDE3APARP1
SCHEMBL4166792 0.89 PTGDR2 (0.41) POLBPKMBRAFPDE3APARP1
SCHEMBL4155597 0.89 HTR6 (0.45) POLBPKMBRAFBRD4
SCHEMBL4153950 0.88 PKM (0.50) POLBPKMBRAFPDE3APARP1
SCHEMBL4162956 0.87 HPGD (0.44) POLBPKMBRAFPDE3AMAPT
SCHEMBL4160229 0.87 BRD4 (0.46) POLBPKMPDE3AMAPTALDH1A1
SCHEMBL4157628 0.87 ALDH1A1 (0.50) POLBPKMBRAFPDE3AMAPT
SCHEMBL4160914 0.87 PTGDR2 (0.45) POLBMAPTTP53LMNABRD4
SCHEMBL4155342 0.86 SIRT2 (0.41) POLBPKMBRAFPDE3APARP1

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 POLB 1007/4885PKM 276/4885BRAF 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.