SCHEMBL1158435

SCHEMBL1158435

Cc1ccnc(Nc2cc3cc[nH]c(=O)c3c(NCC3CCNCC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.52
ATAD2 Q6PL18 4/20 0.52
PDE5A O76074 2/20 0.44
MAP3K12 Q12852 1/20 0.42
FER P16591 1/20 0.42
SYK P43405 4/20 0.40
KCNH2 Q12809 2/20 0.40
AURKB Q96GD4 1/20 0.40
PAK4 O96013 1/20 0.39
PAK1 Q13153 1/20 0.39
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
KARS1 Q15046 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
LYN P07948 1/20 0.36
ZAP70 P43403 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL1158163 0.94 FER (0.44) BRD4ATAD2PDE5AMAP3K12FER
SCHEMBL1158652 0.83 FER (0.41) FERSYKKARS1ZAP70
SCHEMBL1158658 0.83 FER (0.42) FERSYKKCNH2JAK2LYN
SCHEMBL1158282 0.83 FER (0.42) FERSYKKCNH2JAK2LYN
SCHEMBL12848848 0.81 FER (0.40) ATAD2FERSYKKARS1ZAP70
SCHEMBL1158534 0.81 SYK (0.58) BRD4ATAD2MAP3K12FERSYK
SCHEMBL1158751 0.81 FER (0.41) MAP3K12FERSYKZAP70
SCHEMBL1158012 0.81 FER (0.41) MAP3K12FERSYKZAP70
SCHEMBL1158836 0.81 JAK2 (0.40) BRD4FERSYKKCNH2JAK2
SCHEMBL1158729 0.81 KARS1 (0.49) BRD4ATAD2FERSYKKARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP claimed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US claimed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 WO claimed
EP-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 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 (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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN BRD4 651/4885ATAD2 2752/4885PDE5A 3216/4885

“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.