SCHEMBL4160229

SCHEMBL4160229

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
PDE3A Q14432 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
PKM P14618 3/20 0.40
AR P10275 1/20 0.40
GPR17 Q13304 1/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 3/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4169893 0.94 BRD4 (0.53) BRD4MAPTGAAGPR17HTR6
SCHEMBL4153950 0.92 PKM (0.50) BRD4PDE3AMAPTGAAPKM
SCHEMBL4163279 0.92 PKM (0.48) BRD4PDE3AMAPTGAAPKM
SCHEMBL4162956 0.91 HPGD (0.44) BRD4PDE3AMAPTGAAPKM
SCHEMBL4157628 0.91 ALDH1A1 (0.50) PDE3AMAPTGAAPKMAR
SCHEMBL4161137 0.91 POLB (0.50) BRD4PDE3AMAPTGAAPKM
SCHEMBL4162699 0.90 BRD4 (0.47) BRD4MAPTPKMGPR17HTR6
SCHEMBL4166792 0.89 PTGDR2 (0.41) BRD4PDE3AMAPTGAAPKM
SCHEMBL4157718 0.89 BRD4 (0.56) BRD4MAPTPKMGPR17HTR6
SCHEMBL4163720 0.89 BRD4 (0.48) BRD4MAPTGAAPKMPOLB

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 BRD4 545/4885PDE3A 1334/4885MAPT 734/4885

“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.