SCHEMBL19736366

SCHEMBL19736366

CC(=O)Nc1cc(C)cnn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
ADORA3 P0DMS8 5/20 0.41
PTK2 Q05397 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PIK3CG P48736 1/20 0.38
GLS O94925 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ADORA1 P30542 2/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL29640179 0.83 MEN1 (0.46) PIK3C3MEN1KMT2A
SCHEMBL19728687 0.80 RAB9A (0.40) PIK3C3ADORA3KDM4EMEN1KMT2A
SCHEMBL22574129 0.79 PTK2 (0.51) PIK3C3L3MBTL1ADORA3PTK2TDP1
SCHEMBL25298526 0.77 ADORA3 (0.48) L3MBTL1ADORA3KDM4ECYP1A2ADORA1
SCHEMBL21607832 0.77 L3MBTL1 (0.43) PIK3C3L3MBTL1ADORA3PTK2KDM4E
SCHEMBL23015784 0.77 L3MBTL1 (0.43) PIK3C3L3MBTL1ADORA3PTK2KDM4E
SCHEMBL31006927 0.77 ADORA3 (0.48) L3MBTL1ADORA3KDM4ECYP1A2ADORA1
SCHEMBL24542817 0.76 AAK1 (0.40) PIK3C3
SCHEMBL18658437 0.75 ADORA3 (0.54) L3MBTL1ADORA3TDP1HSD17B10KDM4E
SCHEMBL21608293 0.75 L3MBTL1 (0.42) PIK3C3L3MBTL1ADORA3PTK2KDM4E

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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 (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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3C3 4718/4885L3MBTL1 3276/4885ADORA3 3249/4885

“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.