SCHEMBL25136306

SCHEMBL25136306

Cn1cncc1-c1nc(C(=O)NC2CC3(C2)CC(F)(F)C3)cc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.37
GSK3B P49841 13/20 0.37
DYRK1A Q13627 13/20 0.37
WNT1 P04628 7/20 0.37
CLK2 P49760 2/20 0.34
CLK3 P49761 2/20 0.34
IDH1 O75874 1/20 0.34
CYP1A2 P05177 1/20 0.34
CD38 P28907 1/20 0.34
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL25136420 0.89 GSK3B (0.39) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL25136182 0.87 SCN9A (0.45) SCN9AGSK3BDYRK1AWNT1IDH1
SCHEMBL25136061 0.83 CD38 (0.46) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL30182658 0.83 TAS1R3 (0.42) GSK3BDYRK1ACD38
SCHEMBL29182259 0.83 TAS1R3 (0.42) GSK3BDYRK1ACD38
SCHEMBL25136296 0.83 TAS1R3 (0.42) GSK3BDYRK1ACD38
SCHEMBL31722438 0.82 HDAC4 (0.40) SCN9AGSK3BDYRK1AWNT1
SCHEMBL30363923 0.80 GSK3B (0.37) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL25135950 0.80 RORC (0.37) CYP1A2CD38KCNH2
SCHEMBL25135976 0.80 CD38 (0.46) GSK3BDYRK1AWNT1CD38

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
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US 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 SCN9A 1396/4885GSK3B 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.