SCHEMBL13618229

SCHEMBL13618229

CC(C)(C)n1cnc(C(N)=O)c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
ALDH1A1 P00352 2/20 1.00
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
RIPK2 O43353 4/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
FBP1 P09467 1/20 0.33
ATIC P31939 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL12702614 0.81 LMNA (0.69) LMNAALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL21515841 0.81 ALDH1A1 (0.69) LMNAALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL12702849 0.80 LMNA (0.67) LMNAALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL31352259 0.77 ALDH1A1 (0.62) LMNAALDH1A1KDM4EMAPTMEN1
SCHEMBL19569889 0.77 ALDH1A1 (0.61) LMNAALDH1A1KDM4ETDP1TP53
SCHEMBL19968861 0.76 ALDH1A1 (0.61) LMNAALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL12702668 0.75 ALDH1A1 (0.60) LMNAALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL25074041 0.75 ALDH1A1 (0.59) LMNAALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL21372045 0.75 ALDH1A1 (0.59) LMNAALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL23188727 0.75 ALDH1A1 (0.59) LMNAALDH1A1PI4KAPI4K2BPI4K2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210170043-A1 DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS CHINOOK THERAPEUTICS, INC. 2021-06-10 US disclosed
US-8415321-B2 Nucleoside derivatives for treatment of Caliciviridae infections, including Norovirus infections THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2013-04-09 US disclosed
US-20090280084-A1 NUCLEOSIDE DERIVATIVES FOR TREATMENT OF CALICIVIRIDAE INFECTIONS, INCLUDING NOROVIRUS INFECTIONS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2009-11-12 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 (2 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-20090280084-A1 NUCLEOSIDE DERIVATIVES FOR TREATMENT OF CALICIVIRIDAE INFECTIONS, INCLUDING NOROVIRUS INFECTIONS PNP, NUDT1, RNMT LMNA 2245/4885ALDH1A1 3010/4885PI4KA 1528/4885
US-20210170043-A1 DC-SIGN ANTIBODY CONJUGATES COMPRISING STING AGONISTS STING1, TLR9, TLR3 LMNA 2865/4885ALDH1A1 4425/4885PI4KA 3182/4885

“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.