Sugi Predict

Sugi Predict / Compounds / SCHEMBL6744216

SCHEMBL6744216

SCHEMBL6744216

COc1cc(F)cc(Br)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ EP300 Q09472 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HTR2A P28223 4/20 0.35
▸ TAAR1 Q96RJ0 3/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ PRKDC P78527 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LCK P06239 1/20 0.33

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
SCHEMBL30542553 1.00 MAPT (0.53) MAPTNPSR1POLBL3MBTL1EP300
SCHEMBL30994949 0.79 MAPT (0.48) MAPTNPSR1POLBL3MBTL1EP300
SCHEMBL16052950 0.78 MAPT (0.42) MAPTNPSR1POLBL3MBTL1EP300
SCHEMBL31261040 0.78 MAPT (0.42) MAPTNPSR1POLBL3MBTL1EP300
SCHEMBL13186794 0.78 MAPT (0.42) MAPTNPSR1POLBL3MBTL1EP300
SCHEMBL23900009 0.78 MAPT (0.47) MAPTNPSR1POLBL3MBTL1ALOX5
SCHEMBL31211203 0.78 MAPT (0.57) MAPTNPSR1POLBL3MBTL1EP300
SCHEMBL5946197 0.78 MAPT (0.57) MAPTNPSR1POLBL3MBTL1EP300
SCHEMBL27836138 0.78 POLB (0.40) MAPTNPSR1POLBL3MBTL1ALOX5
SCHEMBL7479301 0.78 MAPT (0.57) MAPTNPSR1POLBL3MBTL1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-05-29 — — US disclosed
US-12291523-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2025-05-06 — — US disclosed
EP-4479056-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF Merck Sharp & Dohme LLC (US) 2024-12-25 — — EP disclosed
US-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO, INC. 2024-09-26 — — US disclosed
US-12030879-B2 Sulfonyl acetamides as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2024-07-09 — — US disclosed
US-11970484-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2024-04-30 — — US disclosed
US-11884645-B2 Sulfonyl acetamides as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2024-01-30 — — US disclosed
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 — — WO disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 — — US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 — — US disclosed
CN-102307852-A Cyclic amine compounds DAIICHI SANKYO CO LTD 2012-01-04 — — CN disclosed
CN-102307847-A Indanyl compounds DAIICHI SANKYO CO LTD 2012-01-04 — — CN disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 — — US disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
CN-102123991-A 2-arylaminoquinazolines for the treatment of proliferative diseases NOVARTIS AG 2011-07-13 — — CN disclosed
CN-101454294-A Quinazolines for pdk1 inhibition NOVARTIS AG (CH) 2009-06-10 — — 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 (9 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-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NCOA3 MAPT 4388/4885NPSR1 618/4885POLB 4749/4885
US-12030879-B2 Sulfonyl acetamides as NLRP3 inhibitors NLRP3, NOD1, NLRP1 MAPT 3339/4885NPSR1 326/4885POLB 4837/4885
US-20250171447-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF ADORA2A, ADORA2B, ADORA1 MAPT 4454/4885NPSR1 129/4885POLB 2813/4885
US-12291523-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 MAPT 4396/4885NPSR1 647/4885POLB 4720/4885
US-11884645-B2 Sulfonyl acetamides as NLRP3 inhibitors NLRP3, NOD1, ABCC5 MAPT 3466/4885NPSR1 274/4885POLB 4806/4885
US-11970484-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 MAPT 4414/4885NPSR1 631/4885POLB 4556/4885
US-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 MAPT 1170/4885NPSR1 110/4885POLB 3807/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 MAPT 4365/4885NPSR1 603/4885POLB 4648/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MAPT 1359/4885NPSR1 210/4885POLB 4830/4885

“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.