SCHEMBL1049176

SCHEMBL1049176

Cn1cc(-c2ccc(Nc3nc(-c4cnc(N)nc4)cc4ccn(C)c(=O)c34)cc2)cn1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.82
SYK P43405 6/20 0.43
LRRK2 Q5S007 1/20 0.40
AURKB Q96GD4 1/20 0.39
AXL P30530 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB4 Q15303 1/20 0.38
MET P08581 3/20 0.38
ALOX5AP P20292 3/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1045555 0.90 ZAP70 (1.00) ZAP70SYKLRRK2
SCHEMBL1050178 0.86 ZAP70 (0.64) ZAP70SYKPIK3CDPIK3CAPIK3CG
SCHEMBL1047909 0.84 ZAP70 (0.59) ZAP70SYKPIK3CAPIK3CGMET
SCHEMBL1081520 0.84 ZAP70 (0.58) ZAP70LRRK2
SCHEMBL1048157 0.83 ZAP70 (0.73) ZAP70SYK
SCHEMBL1046724 0.81 ZAP70 (0.68) ZAP70SYKPIK3CAPIK3CG
SCHEMBL1045710 0.81 ZAP70 (0.69) ZAP70SYKPIK3CG
SCHEMBL1047491 0.81 ZAP70 (0.67) ZAP70SYKKCNH2
SCHEMBL1049131 0.80 ZAP70 (0.71) ZAP70SYK
SCHEMBL1049960 0.80 ZAP70 (0.71) ZAP70SYKPIK3CDPIK3CAPIK3CB

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 6 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-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 4/4885SYK 2/4885LRRK2 517/4885

“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.