SCHEMBL3781322

SCHEMBL3781322

Nc1cc(F)ccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KEAP1 Q14145 1/20 0.41
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
HDAC1 Q13547 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL29955598 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1KEAP1HTTGAA
SCHEMBL520500 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1KEAP1HTTGAA
Hydrochloric Acid SCHEMBL29951103 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1KEAP1HTTGAA
SCHEMBL257940 0.77 GCK (0.43) ALDH1A1GAAMAPTGFER
SCHEMBL29395656 0.76 CES2 (0.43) ALDH1A1HTTORAI1ORAI2ORAI3
SCHEMBL39406 0.76 CES2 (0.43) ALDH1A1HTTORAI1ORAI2ORAI3
SCHEMBL14287217 0.76 CASP1 (0.48) ALDH1A1HTTGAAKDM4EMAPT
SCHEMBL3784363 0.74 ALOX15 (0.54) ALDH1A1GAAORAI1ORAI2ORAI3
SCHEMBL408067 0.74 ACHE (0.41) ORAI1ORAI2ORAI3TRPV6CA3
SCHEMBL1490893 0.74 CA3 (0.52) ORAI1ORAI2ORAI3TRPV6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352023-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK BIOPHARMACEUTICALS CO., LTD. (KR) 2024-10-24 US disclosed
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2024-10-10 US disclosed
US-12037338-B2 Imidazopyrimidine and imidazotriazine derivative, and pharmaceutical composition comprising the same SK BIOPHARMACEUTICALS CO., LTD. (KR) 2024-07-16 US disclosed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 EP disclosed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN disclosed
EP-3842436-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZOPYRIMIDINE OR IMIDAZOTRIAZINE DERIVATIVES FOR USE IN THE TREATMENT OF SCHIZOPHRENIA SK BIOPHARMACEUTICALS CO LTD (KR) 2023-11-08 EP disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
CN-110520416-B Polysubstituted pyridone derivative, preparation method and medical application thereof 北京越之康泰生物医药科技有限公司 2022-06-03 CN disclosed
US-20210300933-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK BIOPHARMACEUTICALS CO., LTD. (KR) 2021-09-30 US disclosed
US-10100057-B2 Imidazopyrimidine and imidazotriazine derivative, and pharmaceutical composition comprising the same SK BIOPHARMACEUTICALS CO., LTD. (KR) 2018-10-16 US disclosed
CN-107635994-A Imidazopyrimidine and imidazo-triazine derivative and include its pharmaceutical composition 爱思开生物制药株式会社 2018-01-26 CN disclosed
EP-3262047-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK Biopharmaceuticals Co., Ltd. (KR) 2018-01-03 EP disclosed
US-20170349597-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-12-07 US disclosed
US-9745310-B2 Imidazopyrimidine and imidazotriazine derivative, and pharmaceutical composition comprising the same SK BIOPHARMACEUTICALS CO., LTD. (KR) 2017-08-29 US disclosed
US-20160251361-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK BIOPHARMACEUTICALS CO., LTD. (KR) 2016-09-01 US disclosed
WO-2016137260-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK BIOPHARMACEUTICALS CO., LTD. (KR) 2016-09-01 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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 (8 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-20210300933-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GRM5, GRIK5, GRM1 ALDH1A1 2901/4885L3MBTL1 4111/4885KEAP1 2504/4885
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF MALT1, CYP51A1, BCR ALDH1A1 2301/4885L3MBTL1 2105/4885KEAP1 1119/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885L3MBTL1 3838/4885KEAP1 1245/4885
US-10100057-B2 Imidazopyrimidine and imidazotriazine derivative, and pharmaceutical composition comprising the same GRM5, GRIK5, GRM1 ALDH1A1 2901/4885L3MBTL1 4111/4885KEAP1 2504/4885
US-20240352023-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GRM5, GRIK5, GRM1 ALDH1A1 2901/4885L3MBTL1 4111/4885KEAP1 2504/4885
US-20170349597-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GRM5, GRIK5, GRM1 ALDH1A1 2901/4885L3MBTL1 4111/4885KEAP1 2504/4885
US-20160251361-A1 IMIDAZOPYRIMIDINE AND IMIDAZOTRIAZINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GRM5, GRIK5, GRM1 ALDH1A1 2901/4885L3MBTL1 4111/4885KEAP1 2504/4885
US-12037338-B2 Imidazopyrimidine and imidazotriazine derivative, and pharmaceutical composition comprising the same GRM5, GRIK5, GRM1 ALDH1A1 2901/4885L3MBTL1 4111/4885KEAP1 2504/4885

“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.