SCHEMBL4157612

SCHEMBL4157612

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(NS(=O)(=O)Cc4ccccc4)cc3c12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.58
CYP19A1 P11511 2/20 0.45
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 1/20 0.39
HDAC1 Q13547 1/20 0.37
SGK1 O00141 1/20 0.37
ALOX15 P16050 1/20 0.36
PARP14 Q460N5 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
SCHEMBL4158099 0.87 BRD4 (0.54) BRD4AURKAAURKB
SCHEMBL4159606 0.85 SPR (0.46) BRD4HPGDHSD17B10KDM4EALDH1A1
SCHEMBL3251990 0.85 BRD4 (0.62) BRD4CYP19A1AURKAAURKBHPGD
SCHEMBL4162519 0.84 DAO (0.42) BRD4CYP19A1AURKAHPGDKMT2A
SCHEMBL4176361 0.83 BRD4 (0.56) BRD4KMT2AKDM4EMEN1ALDH1A1
SCHEMBL4163300 0.83 HTR6 (0.47) BRD4AURKAAURKBBRAFSGK1
SCHEMBL4157748 0.82 BRD4 (0.57) BRD4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4162706 0.81 BRD4 (0.39) BRD4HPGDKMT2AMEN1ALDH1A1
SCHEMBL4163279 0.81 PKM (0.48) BRD4GAASMN1; SMN2BRAF
SCHEMBL4155435 0.81 PPARG (0.52) HPGD

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 545/4885CYP19A1 2824/4885AURKA 512/4885

“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.