SCHEMBL1045824

SCHEMBL1045824

O=C(NC1CCCC1)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 0.67
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MAPK14 Q16539 1/20 0.39
TYK2 P29597 1/20 0.39
SYK P43405 1/20 0.39
IGF1R P08069 1/20 0.39
CDK2 P24941 1/20 0.39
DYRK1B Q9Y463 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
SCHEMBL12928906 0.86 ZAP70 (0.58) ZAP70AURKAAURKBMAPK14TYK2
SCHEMBL1044331 0.85 ZAP70 (0.77) ZAP70MEN1KMT2AJAK2JAK1
SCHEMBL1048229 0.84 ZAP70 (0.68) ZAP70AURKAAURKBMAPK14SYK
SCHEMBL1050425 0.83 ZAP70 (0.71) ZAP70AURKAAURKBJAK2TYK2
SCHEMBL12848719 0.82 ZAP70 (0.80) ZAP70JAK2JAK1SYK
SCHEMBL1049089 0.81 ZAP70 (0.60) ZAP70AURKAAURKBIGF1RCDK2
SCHEMBL1049620 0.81 ZAP70 (0.59) ZAP70AURKAAURKBIGF1R
SCHEMBL1046630 0.81 ZAP70 (1.00) ZAP70AURKATYK2
SCHEMBL1046607 0.78 ZAP70 (0.68) ZAP70JAK2JAK1TYK2SYK
SCHEMBL1158209 0.78 ZAP70 (0.78) ZAP70JAK2JAK1

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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN 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
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 4/4885AURKA 843/4885AURKB 699/4885

“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.