SCHEMBL537628

SCHEMBL537628

CC(C)(C)[Si](C)(C)OCc1cccc(Br)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.38
HTR7 P34969 2/20 0.35
KCNH2 Q12809 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
BACE1 P56817 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
PARP1 P09874 1/20 0.31
PREP P48147 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
DUT P33316 2/20 0.30

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
SCHEMBL10005124 0.85 HTR7 (0.36) MBOAT4HTR7KCNH2KDM1AMAOA
SCHEMBL29994742 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1PREPDUT
SCHEMBL379113 0.83 KCNH2 (0.38) KCNH2IRAK4BACE1PREPDUT
SCHEMBL17441587 0.82 KCNH2 (0.39) MBOAT4HTR7KCNH2DUT
SCHEMBL20436437 0.81 KDM1A (0.39) KCNH2IRAK4KDM1AMAOAMAOB
SCHEMBL20436590 0.81 KCNH2 (0.39) KCNH2IRAK4BACE1PARP1DUT
SCHEMBL15968790 0.81 MEN1 (0.39) MBOAT4KCNH2IRAK4KDM1AMAOA
SCHEMBL28521511 0.81 IRAK4 (0.36) KCNH2IRAK4BACE1DUT
SCHEMBL5466523 0.81 KCNH2 (0.39) KCNH2IRAK4BACE1
SCHEMBL20416847 0.81 KCNH2 (0.39) KCNH2IRAK4BACE1PREPDUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 US disclosed
US-20260055108-A1 TRIAZINE COMPOUNDS AND USES THEREOF HUTCHMED LTD (CN) 2026-02-26 US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 EP disclosed
EP-4581032-A1 TRIAZINE COMPOUNDS AND USES THEREOF HUTCHMED Limited (CN) 2025-07-09 EP disclosed
WO-2025104236-A1 PYRAZOLE COMPOUNDS AS CULLIN RING UBIQUITIN LIGASE COMPOUNDS PROXYGEN GMBH (AT) 2025-05-22 WO disclosed
US-12195447-B2 Azolopyrimidine for the treatment of cancer-related disorders ARCUS BIOSCIENCES, INC. (US) 2025-01-14 US disclosed
CN-116981669-B Pyrimidine or pyrido heterocyclic adenosine receptor inhibitor, preparation method and application thereof 上海齐鲁制药研究中心有限公司 2024-08-30 CN disclosed
CN-113748110-B Substituted pyrimidine or pyridine amine derivatives, compositions thereof and pharmaceutical use thereof 上海海雁医药科技有限公司 2024-05-14 CN disclosed
US-20240132507-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2024-04-25 US disclosed
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
WO-2005012323-A2 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS TRIGEN LIMITED (GB) 2005-02-10 WO disclosed
EP-1469864-A1 COMPOUNDS USEFUL AS A-3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2004-10-27 EP disclosed
US-6727254-B2 8-(BIS-(PHENYL) METHYL)-3-HETEROARYL-8-AZABICYCLO-(3.2.1)OCTAN-3-OLS AND DERIVATIVES, USEFUL IN TREATING PAIN, ANXIETY, COUGH, ASTHMA, DEPRESION AND ALCOHOL ABUSE SCHERING CORPORATION 2004-04-27 US disclosed
US-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2004-03-04 US disclosed
WO-2003061670-A1 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2003-07-31 WO disclosed
US-20030119847-A1 Heteroaryl derivatives as superior ligands for nociceptin receptor ORL-1 SCHERING CORPORATION 2003-06-26 US disclosed
WO-2002042305-A1 NITROGEN SUBSTITUTED 1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE DERIVATIVES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2002-05-30 WO disclosed
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 EP disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 US disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 WO 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-20240132507-A1 TDO2 and IDO1 Inhibitors IDO1, TDO2, IDO2 MBOAT4 2537/4885HTR7 585/4885KCNH2 4619/4885
US-20040043982-A1 Nitrogen substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives for enhancing cognition PSEN1, BDNF, H1-5 MBOAT4 4592/4885HTR7 330/4885KCNH2 1381/4885
US-12195447-B2 Azolopyrimidine for the treatment of cancer-related disorders ADORA2A, ADORA2B, ADORA1 MBOAT4 4806/4885HTR7 1637/4885KCNH2 4207/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 MBOAT4 3919/4885HTR7 251/4885KCNH2 294/4885
US-20260055108-A1 TRIAZINE COMPOUNDS AND USES THEREOF CBR1, CNR1, CBR3 MBOAT4 3682/4885HTR7 941/4885KCNH2 194/4885
US-20030119847-A1 Heteroaryl derivatives as superior ligands for nociceptin receptor ORL-1 OPRL1, OPRD1, OPRK1 MBOAT4 3017/4885HTR7 363/4885KCNH2 1035/4885

“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.