SCHEMBL2090957

SCHEMBL2090957

CCC1C(N)=Nc2ccccc2CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
CTSD P07339 3/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CCR3 P51677 2/20 0.36
KMT2A Q03164 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 2/20 0.34
ACE P12821 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
HTR2A P28223 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
SCHEMBL15090906 0.90 SIGMAR1 (0.40) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL15090844 0.86 SIGMAR1 (0.39) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL1754895 0.82 SIGMAR1 (0.44) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL15090847 0.79 SIGMAR1 (0.41) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL10047205 0.74 KMT2A (0.43) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL15090842 0.71 NOS1 (0.39) NOS3NOS1NOS2KMT2AGAA
SCHEMBL1754212 0.68 SIGMAR1 (0.50) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL15090871 0.68 SIGMAR1 (0.40) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL1754868 0.67 RYR2 (0.51) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL25322204 0.65 ACE (0.48) KMT2AACEDPP8DPP9DPP4

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 8 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
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-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
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

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 SIGMAR1 404/4885CTSD 2484/4885NOS3 1265/4885
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR5 SIGMAR1 404/4885CTSD 2484/4885NOS3 1265/4885

“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.