SCHEMBL1045442

SCHEMBL1045442

CNc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc4cn[nH]c4c3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.46
EIF2AK2 P19525 1/20 0.43
SYK P43405 6/20 0.42
RET P07949 2/20 0.42
KDR P35968 2/20 0.42
MAPK1 P28482 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
PDPK1 O15530 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42
ROS1 P08922 1/20 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
SCHEMBL1048662 0.90 ZAP70 (0.44) ZAP70EIF2AK2SYKRETKDR
SCHEMBL1045652 0.87 ZAP70 (0.45) ZAP70EIF2AK2SYKRETKDR
SCHEMBL1049129 0.85 ZAP70 (0.48) ZAP70EIF2AK2SYKRETKDR
SCHEMBL1044891 0.85 ZAP70 (0.48) ZAP70EIF2AK2SYKRETKDR
SCHEMBL1049511 0.84 ZAP70 (0.61) ZAP70EIF2AK2SYKRETKDR
SCHEMBL1045508 0.83 ZAP70 (0.54) ZAP70EIF2AK2SYKRETKDR
SCHEMBL1048684 0.79 ZAP70 (0.48) ZAP70EIF2AK2RETKDRMAPK1
SCHEMBL1048925 0.78 ZAP70 (0.52) ZAP70SYKJAK2NTRK1ROS1
SCHEMBL1049168 0.78 ZAP70 (0.53) ZAP70EIF2AK2SYKRETKDR
SCHEMBL1047287 0.78 ZAP70 (0.48) ZAP70SYKRETKDRROCK2

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
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO 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
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 4/4885EIF2AK2 3322/4885SYK 2/4885

“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.