SCHEMBL1043295

SCHEMBL1043295

CN1CCC(c2ccc(Nc3nc(N4CCCC(O)C4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.61
LCK P06239 10/20 0.45
JAK3 P52333 9/20 0.44
EGFR P00533 7/20 0.44
JAK1 P23458 1/20 0.43
JAK2 O60674 1/20 0.43
SYK P43405 1/20 0.42
EML4 Q9HC35 1/20 0.41
ALK Q9UM73 1/20 0.41
BTK Q06187 2/20 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
SCHEMBL1043298 0.90 ZAP70 (0.65) ZAP70LCKEGFRJAK1EML4
SCHEMBL1068638 0.90 ZAP70 (0.61) ZAP70LCKJAK3EGFRJAK1
SCHEMBL1045368 0.88 ZAP70 (0.59) ZAP70LCKJAK3EGFRJAK1
SCHEMBL13753051 0.87 ZAP70 (0.63) ZAP70LCKJAK3EGFRJAK1
SCHEMBL1049435 0.87 ZAP70 (0.63) ZAP70LCKJAK3EGFRJAK1
SCHEMBL1043425 0.86 ZAP70 (0.60) ZAP70LCKJAK3EGFRJAK1
SCHEMBL1048102 0.85 ZAP70 (0.65) ZAP70EGFRJAK1EML4ALK
SCHEMBL12928975 0.84 ZAP70 (0.64) ZAP70LCKJAK3EGFRJAK1
SCHEMBL1048124 0.84 ZAP70 (0.61) ZAP70LCKJAK3EGFRJAK1
SCHEMBL1049051 0.84 ZAP70 (0.61) ZAP70LCKJAK3EGFRJAK1

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 14 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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
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 4/4885LCK 5/4885JAK3 212/4885

“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.