SCHEMBL4482433

SCHEMBL4482433

COc1c[c]c2nc(C(N)=O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
NNMT P40261 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGDS O60760 1/20 0.40
PLAU P00749 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 2/20 0.38
PARP10 Q53GL7 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
GRM2 Q14416 2/20 0.37
ALOX5 P09917 1/20 0.36
PIM1 P11309 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
SCHEMBL11973737 0.82 SCN9A (0.38) KDM4EGAAPIM1
SCHEMBL18249554 0.81 ADA (0.34) APPPARP10PIM1
SCHEMBL18249538 0.80 PARP1 (0.36) APPALDH1A1PARP1CA1PIM1
SCHEMBL18249543 0.79 KDM4E (0.47) KDM4EALDH1A1PIM1
SCHEMBL14955110 0.77 PIM1 (0.38) NNMTPARP1GRM2PIM1CASP1
SCHEMBL11972998 0.77 PIM1 (0.38) APPPARP1GRM2PIM1
SCHEMBL3038786 0.74 KDM4E (0.35) CYP11B1CYP11B2KDM4EHPGDSPLAU
SCHEMBL6827783 0.74 KDM4E (0.60) APPCYP11B1CYP11B2KDM4EHPGDS
SCHEMBL18249537 0.72 KDM4E (0.45) KDM4EALDH1A1TP53GAACA1
SCHEMBL18249535 0.72 CHEK2 (0.48) PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457662-B2 Substituted amides for treating and preventing cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-29 US disclosed
US-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-10-04 US disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 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 (6 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-20180282296-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER NNT, NQO1, NAMPT APP 3642/4885NNMT 4/4885CYP11B1 3207/4885
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 APP 1226/4885NNMT 2658/4885CYP11B1 694/4885
US-10457662-B2 Substituted amides for treating and preventing cancer NQO1, NNT, SIRT1 APP 4412/4885NNMT 7/4885CYP11B1 4026/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 APP 1226/4885NNMT 2658/4885CYP11B1 694/4885
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A APP 3162/4885NNMT 372/4885CYP11B1 78/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A APP 3162/4885NNMT 372/4885CYP11B1 78/4885

“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.