SCHEMBL1047780

SCHEMBL1047780

NCCNc1cc2cc[nH]c(=O)c2c(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.54
CD274 Q9NZQ7 3/20 0.51
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
EPHX2 P34913 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR1A P08908 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KCNH2 Q12809 1/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL13753084 0.88 CD274 (0.54) ZAP70CD274PDGFRBPDGFRAEPHX2
SCHEMBL1048887 0.84 ZAP70 (0.57) ZAP70PDGFRBPDGFRAAURKAAURKB
SCHEMBL1047731 0.83 ZAP70 (0.67) ZAP70CD274EPHX2ALDH1A1
SCHEMBL1045774 0.83 ZAP70 (0.75) ZAP70
SCHEMBL1047007 0.82 ZAP70 (0.62) ZAP70CD274PDGFRBPDGFRAEPHX2
SCHEMBL12928882 0.79 ZAP70 (0.71) ZAP70CD274PDGFRBPDGFRAAURKA
SCHEMBL1047761 0.78 ZAP70 (0.56) ZAP70MAOBAURKAAURKB
SCHEMBL1047008 0.78 ZAP70 (0.58) ZAP70CD274PDGFRBPDGFRA
SCHEMBL1043910 0.77 ZAP70 (0.55) ZAP70
SCHEMBL1048081 0.77 ZAP70 (0.61) 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 10 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

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 4/4885CD274 1725/4885PDGFRB 49/4885

“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.