SCHEMBL8357239

SCHEMBL8357239

Cc1c(Br)cc(F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACP1 P24666 2/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
HTT P42858 1/20 0.31
KDM1A O60341 2/20 0.30
KDM1B Q8NB78 1/20 0.30
RAPGEF4 Q8WZA2 2/20 0.30
P2RY6 Q15077 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PTGS1 P23219 1/20 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
SCHEMBL4602927 0.86 AGTR1 (0.40) AGTR1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL13550027 0.86 GAA (0.36) AGTR1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL22690036 0.82 ACHE (0.40) AGTR1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL1088034 0.82 CYP3A4 (0.35) AGTR1TSHRGAAALDH1A1MAPT
SCHEMBL30018244 0.82 AGTR1 (0.32) AGTR1GAA
SCHEMBL31648971 0.82 ACHE (0.40) AGTR1GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL17466062 0.82 AGTR1 (0.32) AGTR1GAA
SCHEMBL29560549 0.78 NOTUM (0.36) AGTR1SMN1; SMN2MAPTKMT2AHTT
SCHEMBL22866837 0.78 NOTUM (0.36) AGTR1SMN1; SMN2MAPTKMT2AHTT
SCHEMBL25839065 0.78 GABRA1 (0.35) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 US disclosed
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
WO-2025106910-A1 DEGRADER MOLECULES TARGETING ANDROGEN RECEPTOR FLARE THERAPEUTICS INC. (US) 2025-05-22 WO disclosed
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
WO-2025078808-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 WO disclosed
US-20250122212-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 US 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-2023244615-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
CN-117024354-B Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-12-08 CN disclosed
US-20230382900-A1 INHIBITORS OF BTK NEWAVE PHARMACEUTICAL INC. 2023-11-30 US disclosed
CN-117024354-A Preparation method of Rui Mi Buti Ni 天津凯莱英制药有限公司 2023-11-10 CN disclosed
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US disclosed
WO-2022094172-A2 INHIBITORS OF BTK NEWAVE PHARMACEUTICAL INC. (US) 2022-05-05 WO disclosed
EP-3042903-B1 Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof IMPETIS BIOSCIENCES LTD (IN) 2019-08-14 EP disclosed
WO-2018035080-A1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-22 WO disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed
EP-0045423-B1 PROCESS FOR THE ALPHA-HALOGENATION OF POSSIBLY SUBSTITUTED METHYL AROMATICS BAYER AG (DE) 1984-02-22 EP disclosed
US-4351974-A Preparation of 3-bromo-4-fluorotoluene BAYER AKTIENGESELLSCHAFT (DE) 1982-09-28 US disclosed
EP-0045423-A1 Process for the alpha-halogenation of possibly substituted methyl aromatics BAYER AG (DE) 1982-02-10 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 (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 AGTR1 676/4885TSHR 3463/4885GAA 154/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 AGTR1 676/4885TSHR 3463/4885GAA 154/4885
US-20230382900-A1 INHIBITORS OF BTK BTK, SYK, LYN AGTR1 3464/4885TSHR 1986/4885GAA 3094/4885
US-20250122212-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 AGTR1 967/4885TSHR 4462/4885GAA 1251/4885
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS AGTR1 346/4885TSHR 1916/4885GAA 4638/4885

“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.