SCHEMBL1145386

SCHEMBL1145386

CC(=O)Nc1cc(N)c(C#N)c(-c2ccc3ccccc3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 1.00
MAP4K4 O95819 4/20 1.00
ITK Q08881 2/20 1.00
CLK4 Q9HAZ1 2/20 1.00
DYRK1A Q13627 2/20 1.00
AURKB Q96GD4 2/20 1.00
ROS1 P08922 1/20 1.00
FLT3 P36888 1/20 1.00
GSK3B P49841 1/20 1.00
MAPK9 P45984 10/20 0.80
PRKD3 O94806 4/20 0.80
MAP4K2 Q12851 3/20 0.80
MAPK10 P53779 2/20 0.80
MAP4K5 Q9Y4K4 2/20 0.80
CHUK O15111 1/20 0.80
CDK2 P24941 1/20 0.80
CLK2 P49760 1/20 0.80
PASK Q96RG2 1/20 0.80
SRPK1 Q96SB4 1/20 0.80
PRKD2 Q9BZL6 2/20 0.67

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
SCHEMBL1145340 0.89 MAPK8 (1.00) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1144807 0.86 MAPK8 (0.81) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1145222 0.85 MAPK8 (0.80) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1145173 0.85 MAPK8 (0.74) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1144848 0.84 MAPK8 (0.74) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1145519 0.84 MAPK8 (0.78) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1145622 0.84 MAPK8 (0.78) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1144788 0.83 MAPK8 (0.80) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1145098 0.83 MAPK8 (0.80) MAPK8MAP4K4ITKCLK4DYRK1A
SCHEMBL1145492 0.83 MAPK8 (0.75) MAPK8MAP4K4ITKCLK4DYRK1A

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 6 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 claimed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO claimed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US claimed
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 MAPK8 30/4885MAP4K4 29/4885ITK 2088/4885

“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.