SCHEMBL1145014

SCHEMBL1145014

N#Cc1c(N)cc(N)nc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.64
ADORA2A P29274 17/20 0.64
CHUK O15111 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
CDK2 P24941 1/20 0.58
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
CLK2 P49760 1/20 0.58
MAPK10 P53779 1/20 0.58
ITK Q08881 1/20 0.58
MAP4K2 Q12851 1/20 0.58
PASK Q96RG2 1/20 0.58
SRPK1 Q96SB4 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58
HSD17B10 Q99714 1/20 0.57
ADORA2B P29275 5/20 0.54
XDH P47989 1/20 0.53

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
SCHEMBL6440910 0.78 ADORA1 (1.00) ADORA1ADORA2AADORA2B
SCHEMBL31060121 0.75 MAP4K4 (0.57) ADORA1ADORA2ACHUKPRKD3MAP4K4
SCHEMBL1145340 0.74 MAPK8 (1.00) ADORA1ADORA2ACHUKPRKD3MAP4K4
SCHEMBL5329331 0.74 ADORA1 (0.56) ADORA1ADORA2ACHUKPRKD3MAP4K4
SCHEMBL15840888 0.72 ADORA1 (0.64) ADORA1ADORA2AHSD17B10ADORA2BXDH
SCHEMBL6445072 0.72 ADORA1 (0.80) ADORA1ADORA2AADORA2B
SCHEMBL11102054 0.72 ALDH1A1 (0.56) ADORA1ADORA2ACHUKMAPK8ADORA2B
SCHEMBL1145344 0.72 SMN1; SMN2 (0.56) ADORA1ADORA2AMAPK8MAPK9ADORA2B
SCHEMBL19665238 0.72 ADORA1 (0.69) ADORA1ADORA2AHSD17B10ADORA2B
SCHEMBL20041347 0.72 ADORA1 (0.77) ADORA1ADORA2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 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 (1 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 ADORA1 4786/4885ADORA2A 4663/4885CHUK 25/4885

“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.