SCHEMBL2116624

SCHEMBL2116624

COc1cc(NC(=O)OC(C)(C)C)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
SYK P43405 1/20 0.43
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATR Q13535 1/20 0.38
GCK P35557 3/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CDK9 P50750 1/20 0.38
GRM4 Q14833 1/20 0.37
CACNA1H O95180 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL26633347 0.85 GSK3B (0.42) GSK3BDYRK1ASYKAAK1GCK
SCHEMBL25347433 0.83 GSK3B (0.44) GSK3BDYRK1AALDH1A1GAAAAK1
SCHEMBL15354547 0.83 GSK3B (0.44) GSK3BDYRK1AALDH1A1GAAAAK1
SCHEMBL5908666 0.83 GSK3B (0.46) GSK3BDYRK1ASYKHCRTR1HCRTR2
SCHEMBL9109967 0.82 ATR (0.48) GSK3BDYRK1ASYKAAK1ATR
SCHEMBL22448769 0.82 GSK3B (0.43) GSK3BDYRK1AALDH1A1GAAAAK1
SCHEMBL20049586 0.82 GSK3B (0.45) GSK3BDYRK1ASYKAAK1ATR
SCHEMBL28641960 0.82 GSK3B (0.45) GSK3BDYRK1ASYKAAK1ATR
SCHEMBL26757694 0.82 GSK3B (0.41) GSK3BDYRK1ASYKALDH1A1GAA
SCHEMBL31399688 0.82 GSK3B (0.41) GSK3BDYRK1ASYKALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use AMGEN INC. (US) 2025-11-18 US disclosed
EP-4065579-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2022-10-05 EP disclosed
US-20210171529-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE AMGEN INC. 2021-06-10 US disclosed
US-20210171529-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE AMGEN INC. 2021-06-10 US disclosed
WO-2021108404-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2021-06-03 WO disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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 (3 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 GSK3B 2369/4885DYRK1A 788/4885SYK 1239/4885
US-20210171529-A1 HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE SCD5, SCD, FADS2 GSK3B 1029/4885DYRK1A 3907/4885SYK 4604/4885
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use SCD5, SCD, FADS2 GSK3B 1029/4885DYRK1A 3907/4885SYK 4604/4885

“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.