SCHEMBL1048426

SCHEMBL1048426

CC(C)(O)c1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc4[nH]ncc4c3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.54
IDH1 O75874 1/20 0.40
TNIK Q9UKE5 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
PIK3CA P42336 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL1045508 0.93 ZAP70 (0.54) ZAP70ROCK2ROCK1
SCHEMBL1047845 0.89 ZAP70 (0.48) ZAP70ROCK1MKNK1
SCHEMBL1044891 0.82 ZAP70 (0.48) ZAP70ROCK2ROCK1
SCHEMBL1047287 0.81 ZAP70 (0.48) ZAP70TNIKROCK2ROCK1MKNK1
SCHEMBL1047628 0.77 ZAP70 (0.42) ZAP70ROCK2
SCHEMBL1050218 0.77 ZAP70 (0.53) ZAP70ROCK2ROCK1
SCHEMBL1048900 0.77 ZAP70 (0.75) ZAP70
SCHEMBL1049120 0.76 ZAP70 (0.48) ZAP70PIK3CA
SCHEMBL1045442 0.75 ZAP70 (0.46) ZAP70ROCK2ROCK1
SCHEMBL1049511 0.75 ZAP70 (0.61) ZAP70ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ZAP70 4/4885IDH1 3002/4885TNIK 144/4885

“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.