SCHEMBL3082602

SCHEMBL3082602

CCOC(=O)c1cc(-n2cc(C#N)c(-c3ccccc3)c2)ncc1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL11937966 0.89 KDM4E (0.48) KDM4EALOX15SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL11937965 0.89 KDM4E (0.51) KDM4EALOX15SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3085714 0.86 KDM4E (0.43) KDM4EALOX15SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3079046 0.85
SCHEMBL3079251 0.82 JMJD6 (0.53) KDM4EALDH1A1HTT
SCHEMBL11937963 0.79 XDH (0.40) KDM4EHSD17B10ALDH1A1
SCHEMBL11937964 0.78 NMT1 (0.40)
SCHEMBL11938050 0.78
SCHEMBL11937524 0.77
SCHEMBL3219309 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP 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 (2 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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 KDM4E 1199/4885ALOX15 479/4885SMN1; SMN2 3153/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO KDM4E 1638/4885ALOX15 748/4885SMN1; SMN2 2804/4885

“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.