SCHEMBL25197753

SCHEMBL25197753

O=[N+]([O-])c1cccc(C2=CCOCC2)c1OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 5/20 0.36
▸ ATM Q13315 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SOS1 Q07889 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ PTGES O14684 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 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
SCHEMBL29517002 1.00 IDH2 (0.36) IDH2ATMMAPK14CYP1A2CYP2D6
SCHEMBL26162618 0.85 MAPT (0.39) MAPK14CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL26162788 0.83 GPBAR1 (0.35) IDH2MAPK14AAK1GPBAR1
SCHEMBL25199193 0.83 IDH2 (0.33) IDH2MAPK14CYP1A2CYP2D6CYP2C19
SCHEMBL26162646 0.81 MAPK14 (0.34) MAPK14CYP1A2CYP2D6CYP2C19RECQL
SCHEMBL26162781 0.81 MAPK14 (0.35) IDH2MAPK14AAK1SOS1GPBAR1
SCHEMBL27168532 0.81 MAPK14 (0.35) IDH2MAPK14AAK1SOS1GPBAR1
SCHEMBL25217229 0.80 AAK1 (0.39) IDH2MAPK14AAK1SOS1SCN9A
SCHEMBL29517013 0.80 AAK1 (0.39) IDH2MAPK14AAK1SOS1SCN9A
SCHEMBL29162256 0.79 MAPK14 (0.33) MAPK14CYP1A2CYP2D6CYP2C19RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637435-B2 Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof FUJIFILM CORPORATION (JP) 2026-05-26 — — US disclosed
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same FUJIFILM CORPORATION (JP) 2025-09-23 — — US disclosed
EP-4190402-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORP (JP) 2025-08-27 — — EP disclosed
EP-4052760-B1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME FUJIFILM CORP (JP) 2024-03-13 — — EP disclosed
EP-4190402-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM Corporation (JP) 2023-06-07 — — EP disclosed
US-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORPORATION (JP) 2023-06-01 — — US disclosed
US-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORPORATION (JP) 2023-06-01 — — US disclosed
CN-116056766-A Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof 富士胶片株式会社 2023-05-02 — — CN disclosed
EP-4052760-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME FUJIFILM Corporation (JP) 2022-09-07 — — EP disclosed
US-20220259185-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME FUJIFILM CORPORATION (JP) 2022-08-18 — — US 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 (4 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-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF DHRS9, DHODH, CBR1 IDH2 8/4885ATM 4503/4885MAPK14 2796/4885
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same DHODH, IDH1, IDH2 IDH2 3/4885ATM 3492/4885MAPK14 2456/4885
US-12637435-B2 Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof CBR1, DHODH, CBR3 IDH2 8/4885ATM 4395/4885MAPK14 2577/4885
US-20220259185-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME DHODH, IDH1, IDH2 IDH2 3/4885ATM 3492/4885MAPK14 2456/4885

“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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