SCHEMBL1049372

SCHEMBL1049372

CN1CCC(c2ccc(Nc3nc(N4CC[S+]([O-])CC4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 16/20 0.62
JAK1 P23458 1/20 0.42
EGFR P00533 1/20 0.38
EML4 Q9HC35 1/20 0.37
ALK Q9UM73 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL1043298 0.88 ZAP70 (0.65) ZAP70JAK1EGFREML4ALK
SCHEMBL1048102 0.88 ZAP70 (0.65) ZAP70JAK1EGFREML4ALK
SCHEMBL12928975 0.88 ZAP70 (0.64) ZAP70JAK1EGFREML4ALK
SCHEMBL1050117 0.86 ZAP70 (0.62) ZAP70JAK1EGFREML4ALK
SCHEMBL1046478 0.86 ZAP70 (0.62) ZAP70JAK1EGFR
SCHEMBL1043300 0.86 ZAP70 (0.62) ZAP70JAK1EGFRBRD4
SCHEMBL1049051 0.85 ZAP70 (0.61) ZAP70JAK1EGFREML4ALK
SCHEMBL1043303 0.85 ZAP70 (0.61) ZAP70JAK1EGFREML4ALK
SCHEMBL1048124 0.85 ZAP70 (0.61) ZAP70JAK1EGFR
SCHEMBL1049435 0.85 ZAP70 (0.63) ZAP70JAK1EGFR

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 4/4885JAK1 90/4885EGFR 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.