SCHEMBL25199193

SCHEMBL25199193

O=[N+]([O-])c1cc(F)cc(C2=CCOCC2)c1OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 6/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ AR P10275 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL26162626 0.87 LMNA (0.34) IDH2CCNT1CDK9MAPK14MEN1
SCHEMBL25197753 0.83 IDH2 (0.36) IDH2AAK1GPBAR1MAPK14ALDH1A1
SCHEMBL29517002 0.83 IDH2 (0.36) IDH2AAK1GPBAR1MAPK14ALDH1A1
SCHEMBL26162788 0.83 GPBAR1 (0.35) IDH2AAK1GPBAR1MAPK14
SCHEMBL26162643 0.81 ALDH1A1 (0.32) CCNT1CDK9ALDH1A1CYP1A2CYP3A4
SCHEMBL26162804 0.81 AAK1 (0.38) IDH2AAK1CCNT1CDK9GPBAR1
SCHEMBL29162262 0.80 ALDH1A1 (0.31) CCNT1CDK9ALDH1A1CYP1A2CYP3A4
SCHEMBL26162618 0.68 MAPT (0.39) MAPK14KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL25217229 0.68 AAK1 (0.39) IDH2AAK1GPBAR1MAPK14KDM4E
SCHEMBL29517013 0.68 AAK1 (0.39) IDH2AAK1GPBAR1MAPK14KDM4E

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 8/4885AAK1 4848/4885CCNT1 496/4885
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same DHODH, IDH1, IDH2 IDH2 3/4885AAK1 3745/4885CCNT1 349/4885
US-12637435-B2 Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof CBR1, DHODH, CBR3 IDH2 8/4885AAK1 4785/4885CCNT1 1160/4885
US-20220259185-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME DHODH, IDH1, IDH2 IDH2 3/4885AAK1 3745/4885CCNT1 349/4885

“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.

Send feedback