SCHEMBL1046496

SCHEMBL1046496

O=c1[nH]ccc2c(-c3cnn(C4CCNCC4)c3)cnc(Nc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.73
TTK P33981 1/20 0.45
GRK2 P25098 2/20 0.44
GRK5 P34947 2/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
MAPKAPK5 Q8IW41 2/20 0.43
MYLK4 Q86YV6 1/20 0.40
STK17A Q9UEE5 1/20 0.40
ALK Q9UM73 1/20 0.40
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
MET P08581 1/20 0.39
JAK2 O60674 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
SCHEMBL1048443 0.87 ZAP70 (0.53) ZAP70GRK2GRK5ALKMET
SCHEMBL1046603 0.87 ZAP70 (0.53) ZAP70GRK2GRK5ALKMAP3K7
SCHEMBL1045544 0.85 ZAP70 (1.00) ZAP70TTKTTBK1TTBK2MAPKAPK5
SCHEMBL1045623 0.81 ZAP70 (0.80) ZAP70TTKTTBK1TTBK2MAPKAPK5
SCHEMBL1047380 0.80 ZAP70 (0.75) ZAP70TTKTTBK1TTBK2MAPKAPK5
SCHEMBL1048387 0.79 ZAP70 (0.73) ZAP70TTKTTBK1TTBK2MAPKAPK5
SCHEMBL1047693 0.78 ZAP70 (0.72) ZAP70TTKTTBK1TTBK2MAPKAPK5
SCHEMBL1048645 0.77 ZAP70 (0.71) ZAP70TTKTTBK1TTBK2MAPKAPK5
SCHEMBL13752868 0.77 ZAP70 (0.59) ZAP70TTKTTBK1TTBK2MAPKAPK5
SCHEMBL13752869 0.77 ZAP70 (0.72) ZAP70TTKTTBK1TTBK2MAPKAPK5

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
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

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 4/4885TTK 537/4885GRK2 12/4885

“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.