SCHEMBL1049036

SCHEMBL1049036

CNC(=O)c1ccc(Nc2nc(-c3cnn(C4CCNCC4)c3)cc3cc[nH]c(=O)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.51
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
FGFR3 P22607 2/20 0.47
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PAK1 Q13153 4/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL27826746 0.90 ZAP70 (0.50) ZAP70FGFR1FGFR2FGFR3JAK2
SCHEMBL1043321 0.90 ZAP70 (0.49) ZAP70FGFR1FGFR2FGFR3JAK2
SCHEMBL1047740 0.86 ZAP70 (0.57) ZAP70JAK2JAK1
SCHEMBL1048490 0.83 ZAP70 (0.55) ZAP70
SCHEMBL1048193 0.83 ZAP70 (0.60) ZAP70ALK
SCHEMBL1043340 0.80 ZAP70 (0.68) ZAP70JAK2JAK1
SCHEMBL1050495 0.79 ZAP70 (0.47) ZAP70
SCHEMBL1047039 0.79 ZAP70 (0.59) ZAP70
SCHEMBL1049200 0.79 ZAP70 (0.61) ZAP70JAK2JAK1
SCHEMBL1044331 0.78 ZAP70 (0.77) 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 12 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
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 4/4885FGFR1 38/4885FGFR2 71/4885

“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.