SCHEMBL21636537

SCHEMBL21636537

Cc1cc(C(F)(F)F)cc2c1NC(=O)C(C)(C)N2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MOGAT2 Q3SYC2 12/20 0.46
▸ AR P10275 3/20 0.35
▸ PGR P06401 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ XPO1 O14980 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ NOTUM Q6P988 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
SCHEMBL21636539 0.81 MOGAT2 (0.32) MOGAT2ARPGR
SCHEMBL21624113 0.80 MOGAT2 (0.40) MOGAT2PGR
SCHEMBL21624006 0.73 MOGAT2 (0.43) MOGAT2ARPGR
SCHEMBL21636543 0.73 MEN1 (0.34) MOGAT2ALDH1A1MAPTHPGDALOX15
SCHEMBL21624172 0.69 AKR1B1 (0.43) POLB
SCHEMBL23658699 0.68 MOGAT2 (0.31) MOGAT2
SCHEMBL21624022 0.68 TGM2 (0.41) MOGAT2PGR
SCHEMBL4898502 0.68 KIF11 (0.50) MOGAT2ARNOTUM
SCHEMBL21624183 0.68 CES1 (0.45) MOGAT2ARPGRALDH1A1HPGD
SCHEMBL24767506 0.68 MOGAT2 (0.39) MOGAT2ARPGRNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 — — US 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 MOGAT2 3787/4885AR 505/4885PGR 350/4885

“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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