SCHEMBL5019923

SCHEMBL5019923

COc1cc(F)cc(F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
AKR1B1 P15121 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA1 P00915 1/20 0.33
CA6 P23280 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
SCHEMBL23900009 0.82 MAPT (0.47) MAPTNPSR1L3MBTL1POLBALDH1A1
SCHEMBL30083748 0.80 TAAR1 (0.44) MAPTNPSR1L3MBTL1POLBALDH1A1
SCHEMBL1042615 0.80 TAAR1 (0.44) MAPTNPSR1L3MBTL1POLBALDH1A1
SCHEMBL21979047 0.78 NPC1 (0.41) MAPTNPSR1L3MBTL1POLBALDH1A1
SCHEMBL25204018 0.78 ERN1 (0.38) MAPTNPSR1L3MBTL1POLBALDH1A1
SCHEMBL17028317 0.78 MAPT (0.44) MAPTNPSR1L3MBTL1POLBALDH1A1
SCHEMBL30905948 0.78 NPC1 (0.41) MAPTNPSR1L3MBTL1POLBALDH1A1
SCHEMBL23272901 0.78 MAPK14 (0.31)
SCHEMBL29823297 0.78 MAPK14 (0.31)
SCHEMBL10086105 0.76 TUBB1 (0.42) MAPTNFE2L2LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
WO-2025021193-A1 STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 WO disclosed
WO-2025020191-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 WO disclosed
CN-118451066-A 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure 辉瑞大药厂 2024-08-06 CN disclosed
WO-2023100061-A1 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE PFIZER INC. (US) 2023-06-08 WO disclosed
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US disclosed
US-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC 2017-07-06 US disclosed
WO-2017100546-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC (US) 2017-06-15 WO disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
US-7038047-B2 Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-05-02 US disclosed
US-20040167136-A1 Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides BASF AKTIENGESELLSCHAFT (DE) 2004-08-26 US disclosed
EP-1412356-A1 SUBSTITUTED 6-(2-METHOXYPHENYL)TRIAZOLOPYRIMIDINES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-04-28 EP disclosed
WO-2003008416-A1 SUBSTITUTED 6-(2-METHOXYPHENYL) TRIAZOLOPYRIMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-01-30 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 (5 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-12466803-B2 BCKDK inhibitors and/or degraders BCKDK, KHK, PDK4 MAPT 2447/4885NPSR1 4340/4885L3MBTL1 2796/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 MAPT 2447/4885NPSR1 4340/4885L3MBTL1 2796/4885
US-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES TTBK2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TTBK1 MAPT 30/4885NPSR1 1492/4885L3MBTL1 2628/4885
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 MAPT 1099/4885NPSR1 186/4885L3MBTL1 3942/4885
US-20040167136-A1 Substituted 6-(2-methoxyphenyl) triazolopyrimides as fungicides CBR3, CBR1, CNPY2 MAPT 4181/4885NPSR1 2929/4885L3MBTL1 155/4885

“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.