SCHEMBL26704333

SCHEMBL26704333

CCc1cnc(OCc2nc(C)c(-c3cccc(-c4cc(F)c5nn[nH]c5c4F)n3)s2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 6/20 0.64
▸ RXRA P19793 13/20 0.34
▸ GRIN1 Q05586 13/20 0.34
▸ GRIN2B Q13224 13/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ ROS1 P08922 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ MARK3 P27448 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ CSNK1D P48730 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
SCHEMBL30445133 0.92 BPGM (0.75) BPGMRXRAGRIN1GRIN2BKDM4E
SCHEMBL24347961 0.92 BPGM (0.75) BPGMRXRAGRIN1GRIN2BKDM4E
SCHEMBL24348974 0.90 BPGM (0.64) BPGMRXRAGRIN1GRIN2BKDM4E
SCHEMBL24348427 0.86 BPGM (0.57) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348972 0.85 BPGM (0.58) BPGMRXRAGRIN1GRIN2BKDM4E
SCHEMBL24348056 0.84 BPGM (0.54) BPGMRXRAGRIN1GRIN2BKDM4E
SCHEMBL24349035 0.83 BPGM (0.57) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24349036 0.83 BPGM (0.54) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348480 0.83 BPGM (0.59) BPGMRXRAGRIN1GRIN2BKDM4E
SCHEMBL24349255 0.82 BPGM (0.54) BPGMKDM4ECDC7PLK4DYRK3

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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US 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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 BPGM 1/4885RXRA 4052/4885GRIN1 3871/4885

“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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