SCHEMBL25136381

SCHEMBL25136381

COC(=O)c1cc(C2CC2)nc(-c2cncs2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD38 P28907 17/20 0.45
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL25136527 0.85 CD38 (0.39) CD38KDM4EALDH1A1TSHRPOLB
SCHEMBL25136282 0.84 CD38 (0.39) CD38
SCHEMBL30182551 0.82 CD38 (0.59) CD38
SCHEMBL29182222 0.82 CD38 (0.59) CD38
SCHEMBL25136131 0.82 CD38 (0.59) CD38
SCHEMBL29182166 0.78 CD38 (0.50) CD38
SCHEMBL25485479 0.78 CD38 (0.36) CD38KDM4EALDH1A1
SCHEMBL25136368 0.77 CD38 (0.49) CD38ALDH1A1
SCHEMBL25136183 0.76 CD38 (0.52) CD38
SCHEMBL30363838 0.76 CD38 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370512-A1 CD38 MODULATORS AND METHODS OF USE THEREOF Cytokinetics, Inc. (US) 2024-05-22 EP disclosed
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
WO-2023288195-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. (US) 2023-01-19 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT CD38 1/4885KDM4E 1423/4885ALDH1A1 358/4885

“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.