SCHEMBL1754463

SCHEMBL1754463

CC(C)COC(=O)N1CC(N)=Nc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 9/20 0.43
WDR77 Q9BQA1 9/20 0.43
P2RX4 Q99571 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
DPP4 P27487 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A15 Q9H2J7 1/20 0.38

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
SCHEMBL2090954 0.87 MAPT (0.45) NAMPTALDH1A1TSHRMEN1KMT2A
SCHEMBL10047202 0.84 NOS3 (0.39) PRMT5WDR77NAMPTALDH1A1DPP8
SCHEMBL2090375 0.83 NOS3 (0.41) P2RX4DPP8DPP9DPP7DPP4
SCHEMBL1754868 0.75 RYR2 (0.51) P2RX4NAMPTTSHRDPP8DPP9
SCHEMBL1754212 0.75 SIGMAR1 (0.50) ALDH1A1MEN1KMT2ANOS3NOS1
SCHEMBL15355424 0.75 PRMT5 (0.67) PRMT5WDR77MEN1KMT2A
SCHEMBL11975683 0.72 DPP8 (0.41) ALDH1A1DPP8DPP9DPP7MEN1
SCHEMBL4008417 0.68 MEN1 (0.44) P2RX4ALDH1A1TSHRMEN1HPGD
SCHEMBL6677698 0.68 NOTUM (0.57) NAMPTALDH1A1TSHRDPP8DPP9
SCHEMBL13223793 0.67 NAMPT (0.46) PRMT5WDR77NAMPTDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US claimed
EP-1928845-B1 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC (US) 2013-07-10 EP claimed
US-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2012-08-16 US claimed
US-8163738-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-04-24 US claimed
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (CO) 2008-12-11 US claimed
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US disclosed
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US disclosed
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US disclosed
EP-1928845-B1 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC (US) 2013-07-10 EP disclosed
EP-1928845-B1 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC (US) 2013-07-10 EP disclosed
US-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2012-08-16 US disclosed
US-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2012-08-16 US disclosed
US-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2012-08-16 US disclosed
US-8163738-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-04-24 US disclosed
US-8163738-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-04-24 US disclosed
US-8163738-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2012-04-24 US disclosed
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (CO) 2008-12-11 US disclosed
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (CO) 2008-12-11 US disclosed
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (CO) 2008-12-11 US disclosed
WO-2007040840-A2 AMINODIAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-04-12 WO 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-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR5 PRMT5 1313/4885WDR77 2008/4885P2RX4 564/4885
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR5 PRMT5 1313/4885WDR77 2008/4885P2RX4 564/4885

“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.