SCHEMBL1048925

SCHEMBL1048925

O=c1[nH]ccc2cc(-c3ccc(CN4CCOCC4)nc3)nc(Nc3ccc4cn[nH]c4c3)c12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.52
SYK P43405 8/20 0.47
BTK Q06187 4/20 0.47
JAK2 O60674 2/20 0.44
NTRK1 P04629 1/20 0.44
ROS1 P08922 1/20 0.44
CSNK2A2 P19784 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
PTK6 Q13882 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42

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
SCHEMBL1047092 0.86 ZAP70 (0.70) ZAP70SYKBTKJAK2
SCHEMBL1046941 0.85 ZAP70 (0.48) ZAP70SYKBTKJAK2NTRK1
SCHEMBL13753097 0.84 ZAP70 (0.47) ZAP70SYKBTKJAK2NTRK1
SCHEMBL1049029 0.83 ZAP70 (0.55) ZAP70JAK2
SCHEMBL1049358 0.81 ZAP70 (0.52) ZAP70SYKJAK2
SCHEMBL1046818 0.81 ZAP70 (0.67) ZAP70
SCHEMBL1047896 0.80 ZAP70 (0.47) ZAP70SYKJAK2
SCHEMBL1045652 0.80 ZAP70 (0.45) ZAP70SYKBTKJAK2NTRK1
SCHEMBL1049120 0.79 ZAP70 (0.48) ZAP70SYK
SCHEMBL3391527 0.79 SYK (0.45) SYKBTKJAK2NTRK1ROS1

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
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
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 4/4885SYK 2/4885BTK 24/4885

“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.