SCHEMBL1754869

SCHEMBL1754869

CC1c2ccccc2N=C(N)CN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.51
NOS3 P29474 4/20 0.51
NOS2 P35228 4/20 0.51
CACNA1G O43497 6/20 0.34
CACNA1H O95180 3/20 0.33
CACNA1I Q9P0X4 3/20 0.33
DRD4 P21917 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RARA P10276 1/20 0.33
DRD1 P21728 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NOTUM Q6P988 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
SCHEMBL10047201 0.82 NOS2 (0.46) NOS1NOS3NOS2POLB
SCHEMBL1754895 0.77 SIGMAR1 (0.44) NOS1NOS3NOS2SIGMAR1NOTUM
SCHEMBL15090842 0.71 NOS1 (0.39) NOS1NOS3NOS2CACNA1GCACNA1H
SCHEMBL18286762 0.68 NOS1 (1.00) NOS1NOS3NOS2NOTUM
SCHEMBL30878500 0.67 DRD1 (0.60) NPC1POLBDRD1
SCHEMBL1754212 0.67 SIGMAR1 (0.50) NOS1NOS3NOS2SIGMAR1NOTUM
SCHEMBL21465733 0.67 DRD1 (0.60) NPC1POLBDRD1
SCHEMBL2090957 0.65 SIGMAR1 (0.41) NOS1NOS3NOS2SIGMAR1
SCHEMBL15090847 0.65 SIGMAR1 (0.41) NOS1NOS3NOS2NPC1SIGMAR1
SCHEMBL23537246 0.65 DRD4 (0.50) DRD4DRD1NOTUM

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 12 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
EP-1928845-A2 AMINODIAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2008-06-11 EP claimed
WO-2007040840-A2 AMINODIAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-04-12 WO 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

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 NOS1 1598/4885NOS3 1265/4885NOS2 1457/4885
US-20080306050-A1 Aminodiazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR5 NOS1 1598/4885NOS3 1265/4885NOS2 1457/4885

“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.