Sugi Predict

Sugi Predict / Compounds / SCHEMBL2480104

SCHEMBL2480104

SCHEMBL2480104

FC(F)(F)c1cc(Br)nc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.37
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32

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
SCHEMBL1186260 0.85 NT5E (0.38) CES2S1PR1S1PR3NOTUMALDH1A1
SCHEMBL29544677 0.84 NOS3 (0.45) ALDH1A1BACE1NOS3NOS2KDM4E
SCHEMBL18555170 0.84 NOS3 (0.45) ALDH1A1BACE1NOS3NOS2KDM4E
SCHEMBL11104202 0.84 S1PR1 (0.38) CES2S1PR1S1PR3NOTUMKDM4E
SCHEMBL2596390 0.84 HSP90AA1 (0.39) NOTUM
SCHEMBL29659038 0.84 HSP90AA1 (0.39) NOTUM
SCHEMBL18989426 0.80 NOTUM (0.39) NOTUMALDH1A1KDM4EMETAP2THRB
SCHEMBL22462860 0.80 RIPK1 (0.31) IDO1RIPK1
SCHEMBL29988098 0.80 RIPK1 (0.31) IDO1RIPK1
SCHEMBL25938656 0.80 GABRA2 (0.38) CES2NOTUMALDH1A1KDM4ERIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112175006-A Preparation method of pyridine diphenylphosphine derivative 河南省科学院化学研究所有限公司 2021-01-05 — — CN claimed
US-20260138956-A1 NOVEL COMPOUNDS AND USES THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-05-21 — — US disclosed
US-20260035367-A1 PKC-Theta Modulators CELGENE CORPORATION (US) 2026-02-05 — — US disclosed
EP-4486453-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2025-01-08 — — EP disclosed
WO-2024188246-A9 NITROGEN-CONTAINING MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2024-12-05 — — WO disclosed
CN-118852123-A Novel heterocyclic compounds as Pol theta inhibitors for the treatment and prevention of cancer and pharmaceutical compositions containing the same 株式会社大熊制药 2024-10-29 — — CN disclosed
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 — — CN disclosed
WO-2024188246-A1 NITROGEN-CONTAINING MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2024-09-19 — — WO disclosed
US-20240262821-A1 PKC-Theta Modulators EXSCIENTIA AL LIMITED (GB) 2024-08-08 — — US disclosed
EP-4333982-A1 PKC-THETA MODULATORS Exscientia Al Limited (GB) 2024-03-13 — — EP disclosed
US-20210346364-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-11 — — US disclosed
US-11141410-B2 Oxazolidinones as taro inhibitors MERCK SHARP & DOHME CORP (US) 2021-10-12 — — US disclosed
CN-112175006-A Preparation method of pyridine diphenylphosphine derivative 河南省科学院化学研究所有限公司 2021-01-05 — — CN disclosed
US-20200261436-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-08-20 — — US disclosed
EP-3402777-A1 OXAZOLIDINONES AS TARO INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-11-21 — — EP disclosed
WO-2017106138-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 — — WO disclosed
WO-2017106138-A1 OXAZOLIDINONES AS TARO INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 — — WO disclosed
EP-2030971-B1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA (JP) 2011-10-12 — — EP disclosed
US-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-06-24 — — US disclosed
EP-2030971-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-03-04 — — 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 (7 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-20260138956-A1 NOVEL COMPOUNDS AND USES THEREOF SLC10A1, NR3C2, CYP2C8 CES2 120/4885S1PR1 953/4885S1PR3 1354/4885
US-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF HCN1, HCN3, HCN2 CES2 1908/4885S1PR1 1543/4885S1PR3 829/4885
US-20210346364-A1 OXAZOLIDINONES AS TARO INHIBITORS OXA1L, DDO, ALPI CES2 3369/4885S1PR1 4761/4885S1PR3 4848/4885
US-20260035367-A1 PKC-Theta Modulators PRKAR2B, PRKAR2A, PRKCD CES2 935/4885S1PR1 502/4885S1PR3 350/4885
US-20240262821-A1 PKC-Theta Modulators PRKCQ, PRKCH, PRKCE CES2 1396/4885S1PR1 682/4885S1PR3 807/4885
US-20200261436-A1 OXAZOLIDINONES AS TARO INHIBITORS OXA1L, DDO, ALPI CES2 3369/4885S1PR1 4761/4885S1PR3 4848/4885
US-11141410-B2 Oxazolidinones as taro inhibitors OXA1L, DDO, ALPI CES2 3369/4885S1PR1 4761/4885S1PR3 4848/4885

“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.