SCHEMBL1049480

SCHEMBL1049480

Nc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3cccc(OCC(=O)N4CCOCC4)c3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.51
EGFR P00533 1/20 0.48
ITK Q08881 1/20 0.48
ROCK2 O75116 1/20 0.44
FKBP1A P62942 1/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL1045575 0.86 ZAP70 (0.52) ZAP70EGFRITKBTK
SCHEMBL1047984 0.80 ZAP70 (0.45) ZAP70
SCHEMBL1043309 0.79 ZAP70 (0.54) ZAP70EGFRBTK
SCHEMBL1049161 0.79 ZAP70 (0.50) ZAP70EGFR
SCHEMBL1047086 0.79 ZAP70 (0.76) ZAP70
SCHEMBL1045840 0.78 ZAP70 (0.56) ZAP70
SCHEMBL1048305 0.78 SRC (0.48) ZAP70EGFRBTK
SCHEMBL1046426 0.76 ZAP70 (0.52) ZAP70JAK3BTK
SCHEMBL1048983 0.75 ZAP70 (0.45) ZAP70EGFRBTK
SCHEMBL1048880 0.75 ZAP70 (0.71) 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 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-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 4/4885EGFR 237/4885ITK 260/4885

“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.