SCHEMBL25217229

SCHEMBL25217229

Nc1cccc(C2=CCOCC2)c1OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.39
▸ IDH2 P48735 3/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ MTOR P42345 3/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ DYRK1A Q13627 1/20 0.33
▸ MAPK14 Q16539 3/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ CBLB Q13191 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ MAPT P10636 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
SCHEMBL29517013 1.00 AAK1 (0.39) AAK1IDH2PIK3CAMTORPDCD1
SCHEMBL27168545 0.90 SCN9A (0.36) AAK1IDH2PIK3CAMTORPDCD1
SCHEMBL26162619 0.83 PDCD1 (0.38) PIK3CAMTORPDCD1CD274MAPK14
SCHEMBL26162804 0.81 AAK1 (0.38) AAK1IDH2PIK3CAMTORKDM4E
SCHEMBL26162797 0.81 PIK3CA (0.38) AAK1IDH2PIK3CAMTORDYRK1A
SCHEMBL29517002 0.80 IDH2 (0.36) AAK1IDH2MAPK14SCN9ASOS1
SCHEMBL25197753 0.80 IDH2 (0.36) AAK1IDH2MAPK14SCN9ASOS1
SCHEMBL26162799 0.78 AAK1 (0.37) AAK1PDCD1CD274MAPK14CSNK1D
SCHEMBL27168544 0.78 AAK1 (0.37) AAK1PDCD1CD274MAPK14CSNK1D
SCHEMBL26162658 0.78 PDCD1 (0.35) PIK3CAMTORPDCD1CD274DYRK1A

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 9 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
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 AAK1 4848/4885IDH2 8/4885PIK3CA 3663/4885
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same DHODH, IDH1, IDH2 AAK1 3745/4885IDH2 3/4885PIK3CA 1838/4885
US-12637435-B2 Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof CBR1, DHODH, CBR3 AAK1 4785/4885IDH2 8/4885PIK3CA 3011/4885
US-20220259185-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME DHODH, IDH1, IDH2 AAK1 3745/4885IDH2 3/4885PIK3CA 1838/4885

“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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