SCHEMBL1048670

SCHEMBL1048670

CCCNC(=O)c1ccc(Nc2nc(-c3cncc(OC)n3)cc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.62
AURKA O14965 4/20 0.42
DAPK3 O43293 3/20 0.42
JAK2 O60674 3/20 0.42
PAK4 O96013 3/20 0.42
RET P07949 3/20 0.42
LTK P29376 3/20 0.42
KDR P35968 3/20 0.42
MAP2K2 P36507 3/20 0.42
MAPK8 P45983 3/20 0.42
MAPK9 P45984 3/20 0.42
CLK2 P49760 3/20 0.42
RPS6KA3 P51812 3/20 0.42
JAK3 P52333 3/20 0.42
CDK5 Q00535 3/20 0.42
MAP2K1 Q02750 3/20 0.42
MST1R Q04912 3/20 0.42
PTK2 Q05397 3/20 0.42
MAP4K2 Q12851 3/20 0.42
ROCK1 Q13464 3/20 0.42

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
SCHEMBL1158475 0.93 ZAP70 (0.60) ZAP70TYK2
SCHEMBL1157548 0.88 ZAP70 (0.67) ZAP70
SCHEMBL13753040 0.85 ZAP70 (0.67) ZAP70SYKTYK2
SCHEMBL1050425 0.84 ZAP70 (0.71) ZAP70AURKADAPK3JAK2PAK4
SCHEMBL1159512 0.83 ZAP70 (0.60) ZAP70ROCK1ROCK2
SCHEMBL1158489 0.82 ZAP70 (0.75) ZAP70JAK2LRRK2SYK
SCHEMBL1048127 0.82 ZAP70 (0.56) ZAP70AURKADAPK3JAK2PAK4
SCHEMBL1048104 0.81 ZAP70 (0.62) ZAP70AURKADAPK3JAK2PAK4
SCHEMBL1048841 0.81 ZAP70 (0.49) ZAP70AURKADAPK3JAK2PAK4
SCHEMBL1047643 0.81 ZAP70 (0.65) ZAP70JAK2TYK2

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 11 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-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
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 4/4885AURKA 843/4885DAPK3 179/4885

“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.