SCHEMBL25136282

SCHEMBL25136282

O=C(Cl)c1cc(C2CC2)nc(-c2cncs2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD38 P28907 11/20 0.39
EEF2K O00418 1/20 0.36
MYC P01106 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
WNT1 P04628 4/20 0.32
GSK3B P49841 4/20 0.32
DYRK1A Q13627 4/20 0.32
CHEK1 O14757 1/20 0.31
CHEK2 O96017 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
SCHEMBL25136527 0.88 CD38 (0.39) CD38EEF2KMYCADORA3ADORA2A
SCHEMBL25136381 0.84 CD38 (0.45) CD38
SCHEMBL29182166 0.79 CD38 (0.50) CD38
SCHEMBL25136368 0.77 CD38 (0.49) CD38
SCHEMBL29182163 0.77 CD38 (0.38) CD38EEF2KADORA3ADORA2AADORA2B
SCHEMBL30363838 0.77 CD38 (0.52) CD38
SCHEMBL30182551 0.77 CD38 (0.59) CD38
SCHEMBL25136183 0.77 CD38 (0.52) CD38
SCHEMBL25136131 0.77 CD38 (0.59) CD38
SCHEMBL29182222 0.77 CD38 (0.59) CD38

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
CN-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 CN disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT CD38 1/4885EEF2K 4768/4885MYC 2856/4885

“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.