SCHEMBL1049313

SCHEMBL1049313

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 8/20 0.64
JAK2 O60674 4/20 0.50
KDR P35968 3/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
YES1 P07947 1/20 0.42
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
ROCK1 Q13464 1/20 0.41
SYK P43405 1/20 0.40
MAPT P10636 1/20 0.40
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
SRC P12931 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
SCHEMBL1048892 0.92 ZAP70 (0.62) ZAP70JAK2CLK1DYRK1AATR
SCHEMBL1049899 0.91 ZAP70 (0.66) ZAP70JAK2KDRNTRK1DYRK1A
SCHEMBL1045407 0.91 ZAP70 (0.68) ZAP70JAK2ROCK1SYKMAPT
SCHEMBL1043465 0.90 ZAP70 (0.62) ZAP70JAK2MAPT
SCHEMBL1045778 0.89 ZAP70 (0.64) ZAP70JAK2ROCK1MAPTATR
SCHEMBL1049880 0.87 ZAP70 (0.62) ZAP70JAK2ROCK1SYK
SCHEMBL1047969 0.86 ZAP70 (0.64) ZAP70JAK2SYKATRATRIP
SCHEMBL1048842 0.86 ZAP70 (0.72) ZAP70JAK2SYKMAPT
SCHEMBL1047001 0.85 ZAP70 (0.73) ZAP70JAK2SYKMAPT
SCHEMBL1047973 0.85 ZAP70 (0.73) ZAP70JAK2SYKMAPT

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 11 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

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 63/4885KDR 18/4885

“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.