SCHEMBL23658912

SCHEMBL23658912

COc1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LIPE Q05469 6/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ AAK1 Q2M2I8 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALPL P05186 1/20 0.34
▸ HTT P42858 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
SCHEMBL1780770 0.82 LIPE (0.39) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL30466779 0.81 LIPE (0.39) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL2453019 0.81 LPL (0.36) LIPEAAK1ALPL
SCHEMBL25282736 0.81 LIPE (0.39) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL3670014 0.79 ALPL (0.36) AAK1ALPL
SCHEMBL30132973 0.79 ALPL (0.36) AAK1ALPL
SCHEMBL30006214 0.78 EGFR (0.38) SMN1; SMN2LIPEAAK1LMNAALPL
SCHEMBL14038064 0.78 EGFR (0.38) SMN1; SMN2LIPEAAK1LMNAALPL
SCHEMBL23658807 0.75 UCHL1 (0.40) AAK1ALPL
SCHEMBL16046359 0.74 AAK1 (0.44) AAK1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090661-B1 QUINOXALINE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR GRUENENTHAL GMBH (DE) 2025-03-12 — — EP disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
US-20220372041-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-11-24 — — US disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — 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 (2 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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 KMT2A 3656/4885RAB9A 2448/4885MEN1 1270/4885
US-20220372041-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 KMT2A 3656/4885RAB9A 2448/4885MEN1 1270/4885

“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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