SCHEMBL23648101

SCHEMBL23648101

COc1ccc(F)c2c1NC(C)(C)c1nnc(C)n1-2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AVPR2 P30518 1/20 0.31
▸ AVPR1A P37288 1/20 0.31
▸ AMY1A P0DUB6 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
SCHEMBL30006129 0.90 HSD11B1 (0.32) HSD11B1ALDH1A1MAPK1SMN1; SMN2AVPR2
SCHEMBL21624376 0.90 HSD11B1 (0.32) HSD11B1ALDH1A1MAPK1SMN1; SMN2AVPR2
SCHEMBL23658652 0.87 AVPR2 (0.32) MAPK1SMN1; SMN2AVPR2AVPR1A
SCHEMBL23647727 0.84 — —
SCHEMBL23648220 0.82 — —
SCHEMBL23648153 0.82 — —
SCHEMBL21624324 0.81 — —
SCHEMBL23647834 0.80 AR (0.34) —
SCHEMBL21624333 0.80 PDE7A (0.33) ALDH1A1SMN1; SMN2AVPR2AVPR1A
SCHEMBL23647728 0.80 — —

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-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
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO 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 (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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 HSD11B1 95/4885ALDH1A1 1617/4885MAPK1 803/4885

“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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