SCHEMBL21624067

SCHEMBL21624067

CC1(C)Nc2cccc(C(F)(F)F)c2NC1=NN

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.36
▸ PDE7A Q13946 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ APAF1 O14727 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ PLCG1 P19174 1/20 0.31
▸ CCR6 P51684 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RAD52 P43351 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
SCHEMBL21624007 0.78 MOGAT2 (0.30) —
SCHEMBL21636304 0.78 ALDH1A1 (0.42) CES1PDE7AALDH1A1
SCHEMBL29821340 0.78 ALDH1A1 (0.42) CES1PDE7AALDH1A1
SCHEMBL30559943 0.77 CES1 (0.38) CES1PDE7AALDH1A1RAD52
SCHEMBL21624055 0.77 CES1 (0.38) CES1PDE7AALDH1A1RAD52
SCHEMBL30559945 0.77 CES1 (0.45) CES1PDE7AALDH1A1
SCHEMBL21624183 0.77 CES1 (0.45) CES1PDE7AALDH1A1
SCHEMBL21636315 0.70 ALOX5 (0.47) ALDH1A1L3MBTL1
SCHEMBL11511830 0.66 CES1 (0.39) CES1PDE7AALDH1A1TDP1L3MBTL1
SCHEMBL21624018 0.64 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112673009-B Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 — — CN disclosed
EP-3823971-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-05-26 — — EP disclosed
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 — — US disclosed
CN-112673009-A Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2021-04-16 — — CN disclosed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — 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 (1 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-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 CES1 1239/4885PDE7A 1051/4885ALDH1A1 1871/4885

“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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