SCHEMBL5408532

SCHEMBL5408532

NCc1nccn2ccnc12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.52
KEAP1 Q14145 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.31

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
SCHEMBL19520117 0.77 NUDT1 (0.46) NUDT1L3MBTL1
SCHEMBL9935446 0.77 NUDT1 (0.52) NUDT1L3MBTL1
SCHEMBL5405262 0.75 HTR2C (0.47) NUDT1KEAP1L3MBTL1ADORA2A
SCHEMBL3523865 0.72 NUDT1 (0.42) NUDT1L3MBTL1
SCHEMBL5411848 0.69 TLR7 (0.33)
SCHEMBL16061457 0.69 NUDT1 (0.42) NUDT1KEAP1L3MBTL1ADORA2A
SCHEMBL8332978 0.68 LOXL2 (0.36) LOXL2
SCHEMBL335977 0.64 NUDT1 (0.58) NUDT1KEAP1L3MBTL1ADORA2A
SCHEMBL20265413 0.64 NUDT1 (0.52) NUDT1L3MBTL1ADORA2A
SCHEMBL12559813 0.64 NUDT1 (0.52) NUDT1L3MBTL1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 US disclosed
US-7157460-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 US disclosed
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors SUGEN, INC. 2004-11-04 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-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors MAP3K8, MAP3K2, MAP3K5 NUDT1 3312/4885KEAP1 577/4885L3MBTL1 4405/4885
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors MAP3K8, MAP4K4, MAP3K2 NUDT1 1688/4885KEAP1 1293/4885L3MBTL1 4401/4885

“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.