SCHEMBL24767506

SCHEMBL24767506

Cc1ccc(C(F)(F)F)c2c1NC(C)(C)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MOGAT2 Q3SYC2 7/20 0.39
▸ AR P10275 8/20 0.36
▸ CES1 P23141 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ PGR P06401 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL23658917 0.82 MOGAT2 (0.36) MOGAT2ARCES1TDP1CYP2C19
SCHEMBL23648159 0.81 — —
SCHEMBL23648081 0.81 AR (0.46) MOGAT2ARCES1
SCHEMBL23647755 0.78 MOGAT2 (0.38) MOGAT2ARCES1MEN1KMT2A
SCHEMBL21624341 0.75 MOGAT2 (0.38) MOGAT2ARCES1MEN1KMT2A
SCHEMBL21624183 0.74 CES1 (0.45) MOGAT2ARCES1PDE7APGR
SCHEMBL23647909 0.74 MOGAT2 (0.37) MOGAT2ARPGRTP53
SCHEMBL21624366 0.73 MOGAT2 (0.43) MOGAT2AR
SCHEMBL23648061 0.73 ALDH1A1 (0.34) —
SCHEMBL23648059 0.73 ALDH1A1 (0.34) —

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
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

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 MOGAT2 3478/4885AR 805/4885CES1 1312/4885

“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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