SCHEMBL29946217

SCHEMBL29946217

CC(C)(C)OC(=O)NCc1ccncc1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AOC1 P19801 2/20 0.42
AOC3 Q16853 2/20 0.42
LATS1 O95835 4/20 0.42
KCNA5 P22460 1/20 0.42
LATS2 Q9NRM7 1/20 0.42
HDAC1 Q13547 1/20 0.41
CYP17A1 P05093 1/20 0.40
KDM4A O75164 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL16020337 0.84 NAMPT (0.49) NAMPTCYP3A4KDM4EALDH1A1L3MBTL1
SCHEMBL26783635 0.84 NAMPT (0.49) NAMPTCYP3A4KDM4EL3MBTL1LATS1
SCHEMBL29529824 0.84 NAMPT (0.49) NAMPTCYP3A4KDM4EL3MBTL1LATS1
SCHEMBL13976039 0.83 NAMPT (0.48) NAMPTCYP3A4KDM4EL3MBTL1LATS1
SCHEMBL20567939 0.83 NAMPT (0.48) NAMPTCYP3A4L3MBTL1LATS1KCNA5
SCHEMBL31706439 0.83 NAMPT (0.48) NAMPTCYP3A4L3MBTL1LATS1KCNA5
SCHEMBL16181507 0.82 NAMPT (0.49) NAMPTCYP3A4KDM4EL3MBTL1LATS1
SCHEMBL28449955 0.81 NAMPT (0.48) NAMPTCYP3A4KDM4EL3MBTL1LATS1
SCHEMBL29530206 0.80 NAMPT (0.46) NAMPTCYP3A4L3MBTL1LATS1KCNA5
SCHEMBL26783636 0.80 NAMPT (0.46) NAMPTCYP3A4L3MBTL1LATS1KCNA5

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-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-09-29 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-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES HAVCR2, ENTPD5, HMGB3 NAMPT 140/4885CYP3A4 263/4885KDM4E 2717/4885

“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.