Sugi Predict

Sugi Predict / Compounds / SCHEMBL679158

SCHEMBL679158

SCHEMBL679158

COc1c(F)cccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.47
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SLC6A3 Q01959 3/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ BCAT1 P54687 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 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
SCHEMBL19638974 0.90 AR (0.41) ARPOLBGAASLC6A3HTR2A
SCHEMBL6736896 0.85 POLB (0.47) ARPOLBGAAIMPDH2IMPDH1
SCHEMBL5030195 0.83 AR (0.38) ARPOLBGAASLC6A3HTR2A
SCHEMBL28289636 0.80 AR (0.39) ARPOLBGAASLC6A3HTR2A
SCHEMBL2092150 0.80 KMT2A (0.38) ARGAASLC6A3
SCHEMBL16962680 0.80 KMT2A (0.35) ARSLC6A3
SCHEMBL28915870 0.80 KMT2A (0.35) ARSLC6A3
SCHEMBL4424952 0.79 AR (0.41) ARHTR2ATSHRPGRBCAT1
SCHEMBL16054616 0.79 CYP11B1 (0.40) ARGAASLC6A3HTR2ATSHR
SCHEMBL30513214 0.79 AR (0.40) ARGAASLC6A3HTR2AMAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022199577-A1 ANHYDROUS POLYMORPHS OF ANDROGEN RECEPTOR ANTAGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 苏州开拓药业股份有限公司 2022-09-29 — — WO disclosed
EP-3828184-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR Medshine Discovery Inc. (CN) 2021-06-02 — — EP disclosed
WO-2020038394-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR 南京明德新药研发有限公司 2020-02-27 — — WO disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 — — EP disclosed
CN-109715608-A The indazole compound used in tendon and/or ligament injury 诺华股份有限公司 2019-05-03 — — CN disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 — — US disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 — — US disclosed
US-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 — — US disclosed
US-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 — — US disclosed
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-01-28 — — US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 — — US disclosed
CN-101815707-B oxadiazole diaryl compounds MERCK SERONO S.A. (CH) 2015-09-02 — — CN disclosed
CN-104478821-A Oxadiazole diaryl compounds MERCK SERONO SA 2015-04-01 — — CN disclosed
WO-2014057435-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO )ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-04-17 — — WO disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 — — US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 — — US disclosed
CN-101360498-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2009-02-04 — — CN disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 — — EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 — — WO disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 — — 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 (4 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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A AR 392/4885POLB 4438/4885GAA 3927/4885
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R AR 695/4885POLB 4846/4885GAA 1055/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR AR 274/4885POLB 3386/4885GAA 3817/4885
US-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB AR 4017/4885POLB 1810/4885GAA 399/4885

“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.