SCHEMBL1047815

SCHEMBL1047815

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCNCC4)cc3)n2)c1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.83
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
SYK P43405 2/20 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
SCHEMBL1048985 0.91 ZAP70 (0.77) ZAP70SYK
SCHEMBL1047786 0.91 ZAP70 (1.00) ZAP70SYK
SCHEMBL1048881 0.90 ZAP70 (0.68) ZAP70BRD4BRD2BRD3BRDT
SCHEMBL1047354 0.90 ZAP70 (0.81) ZAP70JAK1SYK
SCHEMBL12929775 0.89 ZAP70 (0.66) ZAP70JAK2JAK1BRD4BRD2
SCHEMBL1047806 0.89 ZAP70 (0.66) ZAP70BRD4BRD2BRD3BRDT
SCHEMBL1049878 0.88 ZAP70 (0.77) ZAP70SYK
SCHEMBL1048840 0.87 ZAP70 (0.80) ZAP70JAK1JAK3SYK
SCHEMBL1045794 0.87 ZAP70 (0.76) ZAP70JAK3SYK
SCHEMBL1044204 0.87 ZAP70 (0.76) ZAP70SYK

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
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

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.