SCHEMBL1158307

SCHEMBL1158307

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4=CCNCC4)c(C)c3)n2)n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 17/20 0.63
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1159336 0.88 ZAP70 (0.63) ZAP70
SCHEMBL1046789 0.85 ZAP70 (0.58) ZAP70EHMT2EHMT1
SCHEMBL1049740 0.82 ZAP70 (0.70) ZAP70
SCHEMBL9102814 0.81 ZAP70 (0.72) ZAP70
SCHEMBL1045699 0.81 ZAP70 (0.84) ZAP70
SCHEMBL13753040 0.80 ZAP70 (0.67) ZAP70
SCHEMBL1048658 0.80 ZAP70 (0.61) ZAP70
SCHEMBL1048890 0.79 ZAP70 (0.66) ZAP70
SCHEMBL6526419 0.79 ZAP70 (0.65) ZAP70
SCHEMBL9103259 0.79 ZAP70 (0.77) ZAP70

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 8 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
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 ZAP70 5/4885PIK3CA 109/4885MTOR 390/4885

“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.