SCHEMBL25136114

SCHEMBL25136114

Cn1cncc1-c1cncc(C(=O)N[C@H]2CC[C@H](C(F)F)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 5/20 0.44
CYP2D6 P10635 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP3A4 P08684 1/20 0.35
IDO1 P14902 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNKS O95271 1/20 0.33
HPGDS O60760 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
SMYD3 Q9H7B4 3/20 0.33
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL30363781 1.00 CD38 (0.44) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL29182198 1.00 CD38 (0.44) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL30363585 0.88 S1PR2 (0.38) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL25136172 0.88 S1PR2 (0.38) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL25136247 0.88 CD38 (0.41) CD38CYP2D6CYP2B6CYP3A4IDO1
SCHEMBL25136253 0.87 CD38 (0.47) CD38NPC1RAB9ASMN1; SMN2
SCHEMBL29182217 0.87 CD38 (0.47) CD38NPC1RAB9ASMN1; SMN2
SCHEMBL30834342 0.87 CD38 (0.47) CD38NPC1RAB9ASMN1; SMN2
SCHEMBL25136139 0.84 CD38 (0.62) CD38CYP2D6CYP2B6WNT1GSK3B
SCHEMBL25136201 0.84 CD38 (0.46) CD38WNT1GSK3BDYRK1A

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 1/4885CYP2D6 1605/4885CYP2B6 2184/4885

“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.