SCHEMBL1045778

SCHEMBL1045778

CCN1CCN(c2cc3c(-c4ccc(C(F)(F)F)cc4)c[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.64
JAK2 O60674 3/20 0.49
RAF1 P04049 4/20 0.44
BRAF P15056 4/20 0.44
ROCK1 Q13464 1/20 0.42
BTK Q06187 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NR4A1 P22736 1/20 0.40
WEE1 P30291 1/20 0.39
ALK Q9UM73 1/20 0.39
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 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
SCHEMBL1045013 0.92 ZAP70 (0.61) ZAP70JAK2RAF1BRAFBTK
SCHEMBL1048851 0.91 ZAP70 (0.62) ZAP70JAK2RAF1BRAFMAPT
SCHEMBL1049899 0.90 ZAP70 (0.66) ZAP70JAK2ROCK1BTKWEE1
SCHEMBL1045407 0.90 ZAP70 (0.68) ZAP70JAK2ROCK1MAPT
SCHEMBL1049313 0.89 ZAP70 (0.64) ZAP70JAK2ROCK1MAPTATR
SCHEMBL1049880 0.88 ZAP70 (0.62) ZAP70JAK2RAF1BRAFROCK1
SCHEMBL1047969 0.86 ZAP70 (0.64) ZAP70JAK2ATRATRIP
SCHEMBL1048842 0.85 ZAP70 (0.72) ZAP70JAK2MAPT
SCHEMBL1047973 0.84 ZAP70 (0.73) ZAP70JAK2MAPTWEE1ALK
SCHEMBL1047001 0.84 ZAP70 (0.73) 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 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 4/4885JAK2 63/4885RAF1 99/4885

“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.