SCHEMBL3246034

SCHEMBL3246034

CC(C)(C)OC(=O)CNC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
HSD17B10 Q99714 5/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN7 P35236 1/20 0.36
BACE1 P56817 2/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL3250105 0.90 KDM4E (0.38) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL3252040 0.90 MAPT (0.39) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL3242728 0.89 KDM4E (0.45) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL3242729 0.89 KDM4E (0.45) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL3242979 0.89 KDM4E (0.45) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL3242978 0.86 KDM4E (0.50) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL3248851 0.85 KDM4E (0.38) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL3246028 0.83 KDM4E (0.44) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL13928189 0.81 BRD4 (0.44) KDM4EHTTKMT2AMAPTHSD17B10
SCHEMBL3245428 0.80 BRD4 (0.44) KDM4EHTTKMT2AMAPTHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO 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 KDM4E 1970/4885HTT 2443/4885KMT2A 1882/4885

“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.