SCHEMBL5372845

SCHEMBL5372845

CSC(=S)OC[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
AHCY P23526 2/20 0.35
AMD1 P17707 2/20 0.35
ADORA2B P29275 1/20 0.34
TYMP P19971 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL1798140 0.86 RXFP1 (0.40) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17889824 0.86 RXFP1 (0.40) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12779230 0.85 RXFP1 (0.40) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL1799630 0.83 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5319686 0.83 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL17889809 0.83 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5318875 0.83 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL23776534 0.82 AHCY (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18512602 0.82 AHCY (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL5369830 0.81 TYMP (0.39) PI4KAPI4K2BPI4K2API4KBRXFP1

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-7265111-B2 Adenosine analogues and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-04 US disclosed
US-20040127434-A1 Novel adenosine analogues and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-07-01 US disclosed
EP-1375508-A1 N6-substituted adenosine analogues and their use as pharmaceutical agents Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP 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-20040127434-A1 Novel adenosine analogues and their use as pharmaceutical agents ADORA1, ADORA2A, ADORA2B PI4KA 845/4885PI4K2B 504/4885PI4K2A 480/4885

“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.