SCHEMBL14914880

SCHEMBL14914880

COC(=O)c1cc(Cl)c(N)c(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.43
NOTUM Q6P988 2/20 0.42
PDK2 Q15119 3/20 0.41
PDK1 Q15118 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
GAA P10253 3/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL29422733 1.00 ALPL (0.43) ALPLNOTUMPDK2PDK1PDK3
SCHEMBL25371993 0.85 PDK2 (0.46) ALPLNOTUMPDK2PDK1PDK3
SCHEMBL10322914 0.84 KDM4E (0.46) ALPLNOTUMPDK2PDK1PDK3
SCHEMBL25564365 0.84 NOTUM (0.46) ALPLNOTUMGAAMRGPRX4CA12
SCHEMBL20762798 0.83 GAA (0.53) GAACA12CA1CA2CA7
SCHEMBL10322996 0.82 ALDH1A1 (0.52) ALPLNOTUMPDK2PDK1PDK3
SCHEMBL14914823 0.82 NOTUM (0.47) ALPLNOTUMPDK2PDK1PDK3
SCHEMBL24901671 0.82 NOTUM (0.49) ALPLNOTUMPDK2GAAMRGPRX4
SCHEMBL29422734 0.82 NOTUM (0.47) ALPLNOTUMPDK2PDK1PDK3
SCHEMBL6686898 0.81 CA12 (0.52) GAACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2022-09-22 US disclosed
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor OPNA IMMUNO-ONCOLOGY SA (CH) 2022-09-20 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
EP-3953351-A1 CONDENSED AZINES FOR EP300 OR CBP MODULATION AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2022-02-16 EP disclosed
CN-113710668-A Condensed azines for EP300 or CBP modulation and indications therefor 普莱希科公司 2021-11-26 CN disclosed
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 US disclosed
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 US disclosed
WO-2020210366-A1 CONDENSED AZINES FOR EP300 OR CBP MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2020-10-15 WO disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 US disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 US disclosed
CN-110997677-A Btk inhibitors with improved dual selectivity 百济神州有限公司 2020-04-10 CN disclosed
WO-2019034009-A1 Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2019-02-21 WO disclosed
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
EP-2773634-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL]PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE Theravance, Inc. (US) 2014-09-10 EP disclosed
WO-2013067267-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL] PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE THERAVANCE, INC. (US) 2013-05-10 WO disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF ALPL 1065/4885NOTUM 1307/4885PDK2 3928/4885
US-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN ALPL 3028/4885NOTUM 2781/4885PDK2 2559/4885
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN ALPL 3028/4885NOTUM 2781/4885PDK2 2559/4885
US-11377449-B2 BTK inhibitors with improved dual selectivity BTK, SYK, LYN ALPL 3028/4885NOTUM 2781/4885PDK2 2559/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF ALPL 1065/4885NOTUM 1307/4885PDK2 3928/4885
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor EP300, CREBBP, HDAC11 ALPL 4065/4885NOTUM 2380/4885PDK2 2041/4885
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR EP300, CREBBP, HDAC11 ALPL 4074/4885NOTUM 2418/4885PDK2 2062/4885

“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.