SCHEMBL24349254

SCHEMBL24349254

Cc1nc(CNc2ncccn2)sc1-c1cccc(-c2cc(F)c3nn[nH]c3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 6/20 0.42
▸ CDK2 P24941 9/20 0.37
▸ CDK4 P11802 7/20 0.37
▸ COMT P21964 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ MARK3 P27448 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ MAPK9 P45984 1/20 0.31

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
SCHEMBL24348041 0.84 BPGM (0.47) BPGMCDK2CDK4COMTKDM4E
SCHEMBL24349237 0.83 BPGM (0.51) BPGMROCK2MAPTPRKACAROCK1
SCHEMBL24348998 0.83 BPGM (0.49) BPGMCDK2CDK4TRPV4ATM
SCHEMBL24349263 0.82 BPGM (0.49) BPGMCDK2CDK4KDM4ECDC7
SCHEMBL24349408 0.81 BPGM (0.64) BPGMCOMTKDM4ECDC7PLK4
SCHEMBL24348977 0.81 BPGM (0.54) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348054 0.80 BPGM (0.55) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348060 0.79 BPGM (0.54) BPGMCOMTKDM4ECDC7PLK4
SCHEMBL24348056 0.79 BPGM (0.54) BPGMKDM4ECDC7PLK4DYRK3
SCHEMBL24348995 0.78 BPGM (0.46) BPGMCDK2CDK4KDM4ECDC7

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 3 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
WO-2022056449-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 — — 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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 BPGM 1/4885CDK2 1186/4885CDK4 2247/4885

“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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