SCHEMBL25136182

SCHEMBL25136182

Cn1cncc1-c1nc(C(=O)NC2CCC(F)(F)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
GSK3B P49841 5/20 0.44
DYRK1A Q13627 5/20 0.44
WNT1 P04628 2/20 0.44
KDM1A O60341 3/20 0.43
CD38 P28907 2/20 0.42
CNR1 P21554 1/20 0.39
IDH1 O75874 4/20 0.39
MAOB P27338 1/20 0.39
LRRK2 Q5S007 1/20 0.38
ABCB1 P08183 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
IDH2 P48735 1/20 0.36

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
SCHEMBL29182259 0.88 TAS1R3 (0.42) GSK3BDYRK1ACD38CNR1CHRNB2
SCHEMBL30182658 0.88 TAS1R3 (0.42) GSK3BDYRK1ACD38CNR1CHRNB2
SCHEMBL25136296 0.88 TAS1R3 (0.42) GSK3BDYRK1ACD38CNR1CHRNB2
SCHEMBL25136164 0.88 GSK3B (0.46) SCN9AGSK3BDYRK1AWNT1KDM1A
SCHEMBL31722438 0.87 HDAC4 (0.40) SCN9AGSK3BDYRK1AWNT1CHRNB2
SCHEMBL25136306 0.87 SCN9A (0.37) SCN9AGSK3BDYRK1AWNT1CD38
SCHEMBL30182612 0.86 RORC (0.37) CD38CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25135976 0.86 CD38 (0.46) GSK3BDYRK1AWNT1CD38
SCHEMBL25135950 0.86 RORC (0.37) CD38CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30182904 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.