SCHEMBL15420904

SCHEMBL15420904

COC(=O)c1cn(-c2ccncc2)c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.79
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
HTR3A P46098 4/20 0.56
KMT2A Q03164 8/20 0.56
MEN1 O00255 4/20 0.56
GAA P10253 2/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.49

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
SCHEMBL408819 0.88 NR4A2 (1.00) NR4A2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL15557161 0.85 NR4A2 (0.72) NR4A2ALDH1A1KDM4ELMNAHTR3A
SCHEMBL15444634 0.84 NR4A2 (0.55) NR4A2ALDH1A1KDM4ELMNAHTR3A
SCHEMBL25238096 0.84 NR4A2 (0.75) NR4A2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL19407224 0.83 NR4A2 (0.79) NR4A2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL25307454 0.83 NR4A2 (0.79) NR4A2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL15421267 0.82 NR4A2 (0.56) NR4A2KDM4ELMNAHTR3A
SCHEMBL3681206 0.82 NR4A2 (0.68) NR4A2ALDH1A1KDM4ELMNAHTR3A
SCHEMBL4068109 0.81 KCNH2 (0.53) NR4A2ALDH1A1KDM4ELMNAHTR3A
SCHEMBL23812575 0.81 KMT2A (0.53) NR4A2ALDH1A1LMNAHTR3AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312169-B1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-09-15 EP disclosed
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
CN-106478662-B 5-HT3 receptor antagonist 武田药品工业株式会社 2019-07-02 CN disclosed
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2018-11-15 US disclosed
US-10125145-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-13 US disclosed
EP-3312169-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-04-25 EP disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9670229-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-06 US disclosed
CN-106478662-A 5 HT3 receptor antagonists 武田药品工业株式会社 2017-03-08 CN disclosed
CN-104768943-B 5-HT3 receptor antagonists 武田药品工业株式会社 2016-11-16 CN disclosed
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2016-09-01 US disclosed
US-9346829-B2 5-HT3 receptor antagonists TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
CN-104768943-A 5-ht3 receptor antagonists TAKEDA PHARMACEUTICAL 2015-07-08 CN disclosed
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-02 US disclosed
EP-2875011-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2015-05-27 EP disclosed
US-9012447-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-21 US disclosed
WO-2014014951-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 WO disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (7 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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A NR4A2 1436/4885ALDH1A1 1329/4885KDM4E 4085/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1436/4885ALDH1A1 1329/4885KDM4E 4085/4885
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR3E NR4A2 801/4885ALDH1A1 1138/4885KDM4E 2481/4885
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1436/4885ALDH1A1 1329/4885KDM4E 4085/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1436/4885ALDH1A1 1329/4885KDM4E 4085/4885
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A NR4A2 1436/4885ALDH1A1 1329/4885KDM4E 4085/4885
US-10125145-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A NR4A2 1436/4885ALDH1A1 1329/4885KDM4E 4085/4885

“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.