SCHEMBL22843008

SCHEMBL22843008

CC(C)(C)OC(=O)Nc1cnn2cc(F)cnc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 8/20 0.41
▸ IRAK4 Q9NWZ3 4/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL22842983 0.85 IDO1 (0.38) ATRGSK3BDYRK1AMETAP1BRD9
SCHEMBL28718451 0.85 IRAK4 (0.37) IRAK4GSK3BDYRK1AMETAP1BRD9
SCHEMBL22842961 0.84 IRAK4 (0.40) ATRIRAK4GSK3BDYRK1AMETAP1
SCHEMBL22843003 0.84 IRAK4 (0.40) ATRIRAK4GSK3BDYRK1AMETAP1
SCHEMBL22842984 0.81 IDO1 (0.37) ATRIRAK4GSK3BDYRK1AMETAP1
SCHEMBL22834990 0.79 ATR (0.41) ATRIRAK4KCNH2JAK2JAK1
SCHEMBL31497296 0.72 CYP17A1 (0.41) ATRGSK3BDYRK1AMETAP1BRD9
SCHEMBL18283999 0.72 CYP17A1 (0.39) ATRGSK3BDYRK1AMETAP1BRD9
SCHEMBL24424754 0.72 NTRK1 (0.42) ATRGSK3BDYRK1AMETAP1BRD9
SCHEMBL22858074 0.72 P2RX7 (0.39) ATRIRAK4GSK3BDYRK1AMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585609-B 2H-indazole derivatives and their use in the treatment of diseases 比奥根MA公司 2024-07-30 — — CN disclosed
CN-114245796-B Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of diseases 比奥根MA公司 2024-07-30 — — CN disclosed
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 — — US disclosed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 — — US disclosed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 — — US disclosed
CN-114585609-A 2H-indazole derivatives and their use in the treatment of diseases 比奥根MA公司 2022-06-03 — — CN disclosed
EP-3990454-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 — — EP disclosed
EP-3990432-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 — — EP disclosed
CN-114245796-A Imidazo [1,2-a ] pyridinyl derivatives and their use in the treatment of disease 比奥根MA公司 2022-03-25 — — CN disclosed
WO-2020263980-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 — — WO disclosed
WO-2020263967-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 — — 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 (2 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-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 ATR 835/4885IRAK4 1/4885KCNH2 1078/4885
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 ATR 819/4885IRAK4 1/4885KCNH2 1697/4885

“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.

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