SCHEMBL25136296

SCHEMBL25136296

Cn1cncc1-c1nc(C(=O)N[C@H]2CC[C@H](C)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CD38 P28907 1/20 0.40
ACKR3 P25106 1/20 0.39
RORC P51449 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPC1 O15118 2/20 0.36
RBP4 P02753 1/20 0.36
TTR P02766 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
MCHR1 Q99705 1/20 0.36
BRD4 O60885 1/20 0.36
USP30 Q70CQ3 1/20 0.35
GSK3B P49841 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
SCHEMBL30182658 1.00 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2CD38ACKR3
SCHEMBL29182259 1.00 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2CD38ACKR3
SCHEMBL29182202 0.89 RORC (0.37) CD38RORCCHRNB2CHRNB4CHRNA3
SCHEMBL30182904 0.89 CD38 (0.46) CD38RORCRBP4TTRGSK3B
SCHEMBL30182612 0.89 RORC (0.37) CD38RORCCHRNB2CHRNB4CHRNA3
SCHEMBL25135976 0.89 CD38 (0.46) CD38RORCRBP4TTRGSK3B
SCHEMBL29182229 0.89 CD38 (0.46) CD38RORCRBP4TTRGSK3B
SCHEMBL25135950 0.89 RORC (0.37) CD38RORCCHRNB2CHRNB4CHRNA3
SCHEMBL31722438 0.89 HDAC4 (0.40) ACKR3RORCCHRNB2CHRNB4CHRNA3
SCHEMBL25136182 0.88 SCN9A (0.45) CD38CHRNB2CHRNB4CHRNA3CHRNA4

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 TAS1R3 3170/4885TAS1R1 3380/4885TAS1R2 3815/4885

“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.