SCHEMBL1045545

SCHEMBL1045545

CNS(=O)(=O)c1ccc(OC)c(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.61
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.44
BRAF P15056 3/20 0.42
TNNI3K Q59H18 2/20 0.42
STK10 O94804 1/20 0.41
SLK Q9H2G2 1/20 0.41

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
SCHEMBL1048362 0.90 ZAP70 (0.49) ZAP70BRAFTNNI3K
SCHEMBL1048981 0.87 ZAP70 (0.65) ZAP70
SCHEMBL1045691 0.85 ZAP70 (0.65) ZAP70
SCHEMBL1046792 0.83 ZAP70 (0.60) ZAP70TNNI3K
SCHEMBL12961007 0.83 ZAP70 (0.80) ZAP70STK10SLK
SCHEMBL1048858 0.82 ZAP70 (0.66) ZAP70ALDH1A1KMT2AMAPTMAPK1
SCHEMBL1047439 0.82 ZAP70 (0.67) ZAP70
SCHEMBL1047460 0.81 ZAP70 (0.66) ZAP70
SCHEMBL12929819 0.80 ZAP70 (0.69) ZAP70
SCHEMBL1049389 0.79 ZAP70 (0.68) ZAP70

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 13 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
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 4/4885MEN1 3818/4885ALDH1A1 2562/4885

“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.