SCHEMBL1045401

SCHEMBL1045401

CN1CCN(c2ccc(Nc3nc(-c4ccc(N)nc4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 12/20 0.61
RPS6KA3 P51812 1/20 0.49
EGFR P00533 5/20 0.47
MAPKAPK5 Q8IW41 2/20 0.46

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
SCHEMBL1048456 0.90 ZAP70 (0.75) ZAP70MAPKAPK5
SCHEMBL1047676 0.86 ZAP70 (0.74) ZAP70EGFRMAPKAPK5
SCHEMBL1048551 0.86 ZAP70 (0.80) ZAP70EGFR
SCHEMBL1048446 0.86 ZAP70 (0.77) ZAP70
SCHEMBL27806167 0.85 ZAP70 (0.56) ZAP70EGFR
SCHEMBL1048784 0.85 ZAP70 (0.62) ZAP70EGFRMAPKAPK5
SCHEMBL1048576 0.85 ZAP70 (0.61) ZAP70RPS6KA3EGFR
SCHEMBL1048717 0.85 ZAP70 (0.67) ZAP70EGFR
SCHEMBL1047642 0.84 ZAP70 (0.67) ZAP70
SCHEMBL12928818 0.84 ZAP70 (0.63) ZAP70EGFRMAPKAPK5

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 4/4885RPS6KA3 444/4885EGFR 237/4885

“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.