SCHEMBL2090954

SCHEMBL2090954

CCOC(=O)N1CC(N)=Nc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.45
MDM2 Q00987 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL10047202 0.91 NOS3 (0.39) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL1754463 0.87 PRMT5 (0.43) KMT2AALDH1A1MEN1NOS3NOS1
SCHEMBL11975683 0.84 DPP8 (0.41) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL2090375 0.82 NOS3 (0.41) HSP90AA1NOS3NOS1NOS2SIGMAR1
SCHEMBL6677698 0.82 NOTUM (0.57) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL1754868 0.80 RYR2 (0.51) NPSR1POLBNOS3NOS1NOS2
SCHEMBL1754212 0.79 SIGMAR1 (0.50) KMT2AALDH1A1MEN1HSP90AA1NOS3
SCHEMBL10047200 0.77 HPGD (0.39) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL10047205 0.76 KMT2A (0.43) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL174467 0.75 TLR8 (0.36) MAPTKMT2AALDH1A1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928845-B1 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC (US) 2013-07-10 EP 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
EP-1928845-A2 AMINODIAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2008-06-11 EP disclosed
WO-2007040840-A2 AMINODIAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-04-12 WO 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 MAPT 2744/4885KMT2A 540/4885ALDH1A1 3557/4885
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR5 MAPT 2744/4885KMT2A 540/4885ALDH1A1 3557/4885

“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.