SCHEMBL24348947

SCHEMBL24348947

Cc1nc(CNC(=O)c2cccnn2)sc1-c1csc(-c2cc(F)c(O)c(F)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 3/20 0.37
▸ PDPK1 O15530 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ KLKB1 P03952 2/20 0.34
▸ GPR52 Q9Y2T5 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ PIK3CG P48736 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SLC40A1 Q9NP59 2/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31
▸ TSHR P16473 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
SCHEMBL24348942 0.91 BPGM (0.44) BPGMPDPK1P2RX7KLKB1GPR52
SCHEMBL26704360 0.86 BPGM (0.50) BPGMPDPK1P2RX7PIK3CGNPC1
SCHEMBL24271892 0.85 BPGM (0.36) BPGMPDPK1P2RX7KLKB1GPR52
SCHEMBL24348537 0.80 BPGM (0.40) BPGMGPR52PIK3CG
SCHEMBL24348062 0.80 BPGM (0.59) BPGMPDPK1P2RX7CYP1A2CHRM4
SCHEMBL24349236 0.78 BPGM (0.45) BPGMPDPK1P2RX7CYP1A2CHRM4
SCHEMBL24272087 0.74 BPGM (0.47) BPGMPDPK1PIK3CG
SCHEMBL24271801 0.73 NPC1 (0.40) P2RX7GPR52CHRM4NPC1RAB9A
SCHEMBL24271947 0.72 BPGM (0.38) BPGMPDPK1P2RX7NPC1RAB9A
SCHEMBL24348530 0.71 BPGM (0.47) BPGMGPR52RAB9ACDC7DYRK1A

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 438/4885P2RX7 3923/4885

“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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