SCHEMBL18640539

SCHEMBL18640539

O=C(Cl)c1ccc(Br)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
KDM1A O60341 2/20 0.37
KCNH2 Q12809 2/20 0.37
KDM1B Q8NB78 2/20 0.37
DGAT1 O75907 1/20 0.34
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
ERN1 O75460 1/20 0.32
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PAK4 O96013 1/20 0.31
CHEK2 O96017 1/20 0.31
LCK P06239 1/20 0.31
CDK1 P06493 1/20 0.31
LYN P07948 1/20 0.31

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
SCHEMBL16122077 0.83 ALDH1A1 (0.41) ALDH1A1ALOX15CES2CES1DGAT1
SCHEMBL27346257 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15CES2CES1KDM1A
SCHEMBL147599 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15CES2CES1HPGD
SCHEMBL31184721 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15CES2CES1HPGD
SCHEMBL3540940 0.80 CYP1A2 (0.44) ALDH1A1ALOX15CES2CES1DGAT1
SCHEMBL28221345 0.78 DGAT1 (0.52) ALDH1A1CES2CES1KDM1AKCNH2
SCHEMBL525011 0.77 CES2 (0.67) ALDH1A1ALOX15CES2CES1HPGD
SCHEMBL28221635 0.77 ALDH1A1 (0.47) ALDH1A1ALOX15CES2CES1DGAT1
SCHEMBL9860903 0.76 HPGD (0.55) ALDH1A1ALOX15CES2CES1HPGD
SCHEMBL29544731 0.76 HPGD (0.55) ALDH1A1ALOX15CES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859543-A Method for preparing 2, 6-difluoro-4-bromo-benzoyl chloride 蚌埠中实化学技术有限公司 2016-08-17 CN claimed
EP-4359402-B1 IMIDAZOLO INDAZOLE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2026-03-11 EP disclosed
US-12384761-B2 Imidazolo indazole compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2025-08-12 US disclosed
CN-115667253-B Compounds useful for inhibiting RET kinase 伊莱利利公司 2025-06-17 CN disclosed
EP-4240738-B1 PYRAZOLE DERIVATIVES AS RET KINASE INHIBITORS LILLY CO ELI (US) 2025-05-07 EP disclosed
EP-4143184-B1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE LILLY CO ELI (US) 2025-04-23 EP disclosed
EP-4359402-A1 IMIDAZOLO INDAZOLE COMPOUNDS AS JAK INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2024-05-01 EP disclosed
US-11970485-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2024-04-30 US disclosed
US-11964968-B2 Compounds useful for inhibiting RET kinase ELI LILLY AND COMPANY (US) 2024-04-23 US disclosed
CN-117813298-A Imidazole indazole compounds as JAK inhibitors 施万生物制药研发IP有限责任公司 2024-04-02 CN disclosed
WO-2022272020-A1 IMIDAZOLO INDAZOLE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-12-29 WO disclosed
WO-2022272020-A1 IMIDAZOLO INDAZOLE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-12-29 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2022098970-A1 PYRAZOLE DERIVATIVES ASR ET KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2022-05-12 WO disclosed
US-20220144816-A1 RET KINASE INHIBITORS EVOTEC INTERNATIONAL GMBH (DE) 2022-05-12 US disclosed
US-20210363140-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE LOXO ONCOLOGY, INC. 2021-11-25 US disclosed
WO-2021222017-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE ELI LILLY AND COMPANY (US) 2021-11-04 WO disclosed
WO-2017046605-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
CN-105859543-A Method for preparing 2, 6-difluoro-4-bromo-benzoyl chloride 蚌埠中实化学技术有限公司 2016-08-17 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 (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-20210363140-A1 COMPOUNDS USEFUL FOR INHIBITING RET KINASE RET, GFRA3, GFRA1 ALDH1A1 2702/4885ALOX15 4694/4885CES2 4049/4885
US-11970485-B2 RET kinase inhibitors RET, BRAF, GFRA1 ALDH1A1 1205/4885ALOX15 4350/4885CES2 4120/4885
US-12384761-B2 Imidazolo indazole compounds as JAK inhibitors JAK1, JAK3, JAK2 ALDH1A1 2112/4885ALOX15 939/4885CES2 4746/4885
US-11964968-B2 Compounds useful for inhibiting RET kinase RET, GFRA3, GFRA1 ALDH1A1 2702/4885ALOX15 4694/4885CES2 4049/4885
US-20220144816-A1 RET KINASE INHIBITORS RET, BRAF, GFRA1 ALDH1A1 1205/4885ALOX15 4350/4885CES2 4120/4885

“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.