SCHEMBL1048842

SCHEMBL1048842

CCN1CCN(c2cc3c(I)c[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.72
JAK2 O60674 5/20 0.56
SYK P43405 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
AURKA O14965 1/20 0.41
KDM1A O60341 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 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
SCHEMBL1047001 0.90 ZAP70 (0.73) ZAP70JAK2SYKKDM4EALDH1A1
SCHEMBL1046700 0.90 ZAP70 (0.73) ZAP70JAK2SYKKDM4EALDH1A1
SCHEMBL1047973 0.90 ZAP70 (0.73) ZAP70JAK2SYKKDM4EALDH1A1
SCHEMBL12960998 0.90 ZAP70 (0.72) ZAP70JAK2SYKKDM4EALDH1A1
SCHEMBL1045407 0.88 ZAP70 (0.68) ZAP70JAK2SYKMAPTKDM1A
SCHEMBL1048144 0.87 ZAP70 (0.69) ZAP70JAK2SYKKDM4EALDH1A1
SCHEMBL1049899 0.87 ZAP70 (0.66) ZAP70JAK2SYKAURKA
SCHEMBL1047969 0.86 ZAP70 (0.64) ZAP70JAK2SYK
SCHEMBL1049313 0.86 ZAP70 (0.64) ZAP70JAK2SYKMAPT
SCHEMBL1045778 0.85 ZAP70 (0.64) ZAP70JAK2MAPT

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 14 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
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 63/4885SYK 2/4885

“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.