SCHEMBL24349236

SCHEMBL24349236

Cc1nc(CNC(=O)c2cccnn2)sc1-c1cccc(-c2cc(F)c(O)c(F)c2F)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 5/20 0.45
▸ PDPK1 O15530 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ P2RX7 Q99572 1/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SCD O00767 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL24348062 0.88 BPGM (0.59) BPGMPDPK1HPGDP2RX7ADORA2A
SCHEMBL24348942 0.86 BPGM (0.44) BPGMPDPK1P2RX7ADORA2AADORA1
SCHEMBL24271947 0.84 BPGM (0.38) BPGMPDPK1HPGDP2RX7ADORA2A
SCHEMBL24349277 0.84 BPGM (0.56) BPGMPDPK1HPGDNPC1RAB9A
SCHEMBL24348465 0.84 BPGM (0.47) BPGMPDPK1HPGDADORA2AADORA1
SCHEMBL24349272 0.80 BPGM (0.55) BPGMPDPK1
SCHEMBL26704360 0.79 BPGM (0.50) BPGMPDPK1HPGDP2RX7ADORA2A
SCHEMBL24348458 0.78 BPGM (0.47) BPGMPDPK1
SCHEMBL24272277 0.78 MEN1 (0.37) BPGMPDPK1HPGDP2RX7NPC1
SCHEMBL24348947 0.78 BPGM (0.37) BPGMPDPK1P2RX7NPC1RAB9A

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 1/4885PDPK1 438/4885HPGD 209/4885

“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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