SCHEMBL25136253

SCHEMBL25136253

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.47
KAT2B Q92831 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
CNR1 P21554 2/20 0.37
GRM5 P41594 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30834342 1.00 CD38 (0.47) CD38KAT2BTAS1R3TAS1R1TAS1R2
SCHEMBL29182217 1.00 CD38 (0.47) CD38KAT2BTAS1R3TAS1R1TAS1R2
SCHEMBL30363649 0.88 CD38 (0.62) CD38
SCHEMBL25136139 0.88 CD38 (0.62) CD38
SCHEMBL29182230 0.88 CD38 (0.62) CD38
SCHEMBL25136114 0.87 CD38 (0.44) CD38NPC1RAB9ASMN1; SMN2
SCHEMBL29182198 0.87 CD38 (0.44) CD38NPC1RAB9ASMN1; SMN2
SCHEMBL30363781 0.87 CD38 (0.44) CD38NPC1RAB9ASMN1; SMN2
SCHEMBL25136201 0.85 CD38 (0.46) CD38CNR1
SCHEMBL25136180 0.80 CD38 (0.43) CD38TAS1R3TAS1R1TAS1R2NPC1

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 1/4885KAT2B 2837/4885TAS1R3 3170/4885

“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.