SCHEMBL1047313

SCHEMBL1047313

O=c1[nH]ccc2cc(NC3CCNCC3)nc(Nc3ccc(C4CCNCC4)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.51
JAK2 O60674 5/20 0.48
JAK1 P23458 2/20 0.48
FER P16591 1/20 0.47
LYN P07948 4/20 0.41
SYK P43405 4/20 0.41
KCNH2 Q12809 2/20 0.41
FLT3 P36888 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
PAK4 O96013 1/20 0.39

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
SCHEMBL3358977 0.88 ZAP70 (0.51) ZAP70JAK2JAK1FERLYN
SCHEMBL28790499 0.85 ZAP70 (0.56) ZAP70JAK2JAK1FER
SCHEMBL1047764 0.84 ZAP70 (0.58) ZAP70JAK2JAK1FERLYN
SCHEMBL13752859 0.84 ZAP70 (0.49) ZAP70JAK2JAK1FERSYK
SCHEMBL1045808 0.82 ZAP70 (0.53) ZAP70JAK2JAK1FERLYN
SCHEMBL1045667 0.81 ZAP70 (0.47) ZAP70JAK2JAK1FERLYN
SCHEMBL1048068 0.81 ZAP70 (0.54) ZAP70JAK2JAK1
SCHEMBL1046592 0.81 ZAP70 (0.61) ZAP70JAK2JAK1SYK
SCHEMBL1048813 0.80 ZAP70 (0.56) ZAP70JAK2JAK1FERSYK
SCHEMBL1048131 0.80 ZAP70 (0.56) ZAP70JAK2JAK1FER

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 11 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
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 63/4885JAK1 90/4885

“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.