SCHEMBL1045501

SCHEMBL1045501

COCCN1CCC(c2ccc(Nc3nc(-c4cnc(N)c(C)c4)cc4cc[nH]c(=O)c34)cc2)CC1.COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCCC(C(=O)O)C4)cc3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.51
JAK2 O60674 2/20 0.33
SYK P43405 2/20 0.33
EGFR P00533 2/20 0.32
LCK P06239 2/20 0.32
JAK3 P52333 2/20 0.32
BTK Q06187 1/20 0.32
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
IGF1R P08069 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAP3K12 Q12852 1/20 0.31

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
SCHEMBL1049679 0.87 ZAP70 (0.53) ZAP70JAK2SYK
SCHEMBL1048294 0.85 ZAP70 (0.62) ZAP70SYKBRD4ATAD2IGF1R
SCHEMBL1048296 0.82 ZAP70 (0.58) ZAP70JAK2SYK
SCHEMBL12929905 0.81 ZAP70 (0.51) ZAP70JAK2SYK
SCHEMBL1045554 0.78 ZAP70 (0.65) ZAP70JAK2SYKBRD4ATAD2
SCHEMBL1047883 0.78 ZAP70 (0.61) ZAP70SYK
SCHEMBL1044340 0.78 ZAP70 (0.58) ZAP70JAK2SYK
SCHEMBL1049338 0.78 ZAP70 (0.58) ZAP70JAK2SYK
SCHEMBL1046959 0.77 ZAP70 (0.49) ZAP70LCK
SCHEMBL12929907 0.76 ZAP70 (0.54) ZAP70JAK2SYK

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 4 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 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 4/4885JAK2 63/4885SYK 2/4885

“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.