SCHEMBL25136290

SCHEMBL25136290

COC(=O)c1cc(N2CCCC2)cc(-c2cncs2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.37
GSK3B P49841 3/20 0.37
DYRK1A Q13627 3/20 0.37
CD38 P28907 9/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
HPGD P15428 1/20 0.35
PIM1 P11309 2/20 0.34
SCN9A Q15858 1/20 0.34
MAPT P10636 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL25136105 0.85 CSNK2A2 (0.41) WNT1GSK3BDYRK1AHPGDPIM1
SCHEMBL21044498 0.79 RAB9A (0.43) MAPT
SCHEMBL25136292 0.78 ALDH1A1 (0.41) DYRK1ACD38IMPDH2IMPDH1HPGD
SCHEMBL28410092 0.74 NPC1 (0.37) HPGDMAPT
SCHEMBL25136094 0.73 RAB9A (0.40) WNT1GSK3BDYRK1AMAPT
SCHEMBL25136437 0.73 SMN1; SMN2 (0.39) MAPT
SCHEMBL28410129 0.71 ALDH1A1 (0.40) MAPT
SCHEMBL25136381 0.69 CD38 (0.45) CD38HPGD
SCHEMBL7016486 0.67 MEN1 (0.51) HPGDMAPT
SCHEMBL25136274 0.66 MCL1 (0.43) HPGDMAPT

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 WNT1 3499/4885GSK3B 395/4885DYRK1A 1430/4885

“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.