SCHEMBL25136113

SCHEMBL25136113

Cn1cncc1-c1nccc(C(=O)NC2CCC(F)(F)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD38 P28907 8/20 0.59
GSK3B P49841 4/20 0.48
DYRK1A Q13627 4/20 0.48
WNT1 P04628 3/20 0.48
CNR1 P21554 1/20 0.46
KDM1A O60341 2/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN9A Q15858 3/20 0.41
MAOB P27338 1/20 0.41
TNKS O95271 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL25136240 0.86 CD38 (0.59) CD38CNR1CYP2D6CYP2B6CYP2C19
SCHEMBL30363874 0.86 CD38 (0.59) CD38CNR1CYP2D6CYP2B6CYP2C19
SCHEMBL29182248 0.86 CD38 (0.59) CD38CNR1CYP2D6CYP2B6CYP2C19
SCHEMBL25136061 0.86 CD38 (0.46) CD38GSK3BDYRK1AWNT1CYP2D6
SCHEMBL25136164 0.85 GSK3B (0.46) CD38GSK3BDYRK1AWNT1CNR1
SCHEMBL25136093 0.84 CD38 (0.45) CD38GSK3BDYRK1AWNT1CYP2D6
SCHEMBL30363917 0.84 CD38 (0.45) CD38GSK3BDYRK1AWNT1CYP2D6
SCHEMBL25136035 0.84 CD38 (0.48) CD38GSK3BDYRK1AWNT1CYP2D6
SCHEMBL25136026 0.84 CD38 (0.45) CD38GSK3BDYRK1AWNT1CYP2D6
SCHEMBL29182195 0.84 CD38 (0.48) CD38GSK3BDYRK1AWNT1CYP2D6

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 CD38 1/4885GSK3B 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.