SCHEMBL1048824

SCHEMBL1048824

COc1ccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)cn1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.71
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
PTK2 Q05397 1/20 0.49
SYK P43405 2/20 0.47
BTK Q06187 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
ULK1 O75385 1/20 0.46

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
SCHEMBL1045611 0.90 ZAP70 (0.73) ZAP70SYK
SCHEMBL12929610 0.89 ZAP70 (0.56) ZAP70JAK2SYKPIK3CDPIK3CA
SCHEMBL1047513 0.88 ZAP70 (0.68) ZAP70JAK2SYK
SCHEMBL1048523 0.88 ZAP70 (0.76) ZAP70SYKBTK
SCHEMBL1048433 0.87 ZAP70 (0.67) ZAP70JAK2SYK
SCHEMBL1049430 0.87 ZAP70 (0.73) ZAP70JAK2SYKBTK
SCHEMBL1045858 0.87 ZAP70 (0.69) ZAP70
SCHEMBL1047946 0.87 ZAP70 (0.73) ZAP70JAK2SYKBTK
SCHEMBL1048609 0.87 ZAP70 (0.75) ZAP70JAK2SYKBTK
SCHEMBL1048456 0.87 ZAP70 (0.75) ZAP70JAK2SYKBTK

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 10 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

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 63/4885JAK3 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.