SCHEMBL12776166

SCHEMBL12776166

CC(C)(C)Cc1cncnc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
TKT P29401 1/20 0.40
PI4KB Q9UBF8 3/20 0.34
PI4KA P42356 2/20 0.34
PI4K2B Q8TCG2 2/20 0.34
PI4K2A Q9BTU6 2/20 0.34
EGFR P00533 3/20 0.32
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
EPHB4 P54760 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL27928345 0.80 TKT (0.40) DGAT1TKTEGFRHSP90AA1KDM4E
SCHEMBL23138111 0.78
SCHEMBL12877696 0.77
SCHEMBL21358264 0.75 TKT (0.38) DGAT1TKT
SCHEMBL22822728 0.74 AOC3 (0.31) ALOX5APFEN1
SCHEMBL317516 0.74
SCHEMBL12844554 0.73 TKT (0.44) DGAT1TKTPI4KBPI4KAPI4K2B
SCHEMBL11319147 0.72
SCHEMBL317515 0.72
SCHEMBL7118818 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK DGAT1 1617/4885TKT 1483/4885PI4KB 2416/4885

“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.