SCHEMBL25136201

SCHEMBL25136201

Cn1cncc1-c1cncc(C(=O)NC2CCC(F)(F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD38 P28907 6/20 0.46
GSK3B P49841 5/20 0.46
DYRK1A Q13627 5/20 0.46
WNT1 P04628 2/20 0.46
KDM1A O60341 3/20 0.45
CNR1 P21554 1/20 0.45
MAOB P27338 1/20 0.38
IDH1 O75874 4/20 0.38

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
SCHEMBL25136253 0.85 CD38 (0.47) CD38CNR1
SCHEMBL30834342 0.85 CD38 (0.47) CD38CNR1
SCHEMBL29182217 0.85 CD38 (0.47) CD38CNR1
SCHEMBL25136089 0.85 GSK3B (0.38) CD38GSK3BDYRK1AWNT1
SCHEMBL25136114 0.84 CD38 (0.44) CD38GSK3BDYRK1AWNT1
SCHEMBL29182198 0.84 CD38 (0.44) CD38GSK3BDYRK1AWNT1
SCHEMBL30363781 0.84 CD38 (0.44) CD38GSK3BDYRK1AWNT1
SCHEMBL29182230 0.83 CD38 (0.62) CD38GSK3BDYRK1AWNT1
SCHEMBL25136139 0.83 CD38 (0.62) CD38GSK3BDYRK1AWNT1
SCHEMBL30363649 0.83 CD38 (0.62) CD38GSK3BDYRK1AWNT1

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.