SCHEMBL17732

SCHEMBL17732

Cn1nc(C(F)(F)F)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KCNT1 Q5JUK3 7/20 0.43
KCNQ1 P51787 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
KCNMB1 Q16558 1/20 0.43
KCNT2 Q6UVM3 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL13064210 0.84 KDM4E (0.51) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL352072 0.84 GRN (0.71) KDM4EGRNSORT1RAB9ACTSL
SCHEMBL17920 0.84 GRN (0.71) KDM4EGRNSORT1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8932269 0.82 GRN (0.69) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL951323 0.82 KDM4E (0.50) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL12474102 0.81 KDM4E (0.41) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL30305711 0.81 KDM4E (0.49) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL13020360 0.81 KDM4E (0.53) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL19902317 0.79 ALDH1A1 (0.50) KDM4EGRNSORT1ALDH1A1CYP3A4
SCHEMBL19994223 0.79 KDM4E (0.47) KDM4EGRNSORT1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211854-A1 KCNT1 INHIBITORS COMPRISING A THIAZOLE CORE AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2023-11-02 WO disclosed
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 US disclosed
CN-115715189-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2023-02-24 CN disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
CN-101541801-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-09-23 CN 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1662/4885GRN 1371/4885SORT1 3319/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1409/4885GRN 1586/4885SORT1 4620/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM4E 1662/4885GRN 1371/4885SORT1 3319/4885
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 KDM4E 1355/4885GRN 1516/4885SORT1 2256/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885GRN 1608/4885SORT1 3270/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM4E 1645/4885GRN 1608/4885SORT1 3270/4885

“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.