SCHEMBL13124653

SCHEMBL13124653

CC(C)C(=O)C(Nc1ncccn1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
FFAR2 O15552 1/20 0.38
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
MMP9 P14780 3/20 0.36
PLK1 P53350 2/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 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
SCHEMBL10299129 0.82 LMNA (0.42) KDM4EFFAR2LMNAHTTALDH1A1
SCHEMBL19485904 0.80 FFAR2 (0.41) KDM4EFFAR2LMNAHTTALDH1A1
SCHEMBL13124663 0.74 HSPA5 (0.47) FFAR2LMNANPC1MEN1KMT2A
SCHEMBL12966146 0.73 LMNA (0.43) KDM4EFFAR2LMNAHTTALDH1A1
SCHEMBL13223961 0.72 NPR3 (0.53) KDM4EFFAR2LMNAHTTALDH1A1
SCHEMBL10125355 0.71 CYP2C19 (0.39) KDM4EFFAR2LMNAHTTPLK1
SCHEMBL8203156 0.70 FFAR2 (0.42) KDM4EFFAR2LMNAHTTALDH1A1
SCHEMBL19486074 0.70 ALDH1A1 (0.40) KDM4EFFAR2LMNAHTTALDH1A1
SCHEMBL8909450 0.70 FFAR2 (0.37) KDM4EFFAR2LMNAHTTPLK1
SCHEMBL1225937 0.68 MEN1 (0.42) KDM4EFFAR2LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (3 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885FFAR2 4763/4885LMNA 3118/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885FFAR2 4763/4885LMNA 3118/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885FFAR2 4763/4885LMNA 3118/4885

“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.