SCHEMBL1047812

SCHEMBL1047812

O=C(c1ccc(Nc2nc(-c3ccccc3)cc3cc[nH]c(=O)c23)cc1)N1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 11/20 0.75
BTK Q06187 5/20 0.49
SYK P43405 1/20 0.48
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PLK4 O00444 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
CLK2 P49760 1/20 0.47
CSNK1G2 P78368 1/20 0.47
MAP4K2 Q12851 1/20 0.47
ROCK1 Q13464 1/20 0.47
NTRK3 Q16288 1/20 0.47

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
SCHEMBL1044804 0.90 ZAP70 (0.62) ZAP70SYK
SCHEMBL1044792 0.86 ZAP70 (1.00) ZAP70SYKJAK2KDR
SCHEMBL1047731 0.84 ZAP70 (0.67) ZAP70HPGD
SCHEMBL12928786 0.83 ZAP70 (0.65) ZAP70HPGDPLK4JAK2MAP4K4
SCHEMBL1047753 0.81 ZAP70 (0.74) ZAP70SYKJAK2
SCHEMBL1048705 0.80 ZAP70 (0.84) ZAP70SYKJAK2
SCHEMBL1048564 0.79 ZAP70 (0.77) ZAP70SYKJAK2
SCHEMBL1047353 0.79 ZAP70 (0.82) ZAP70SYKJAK2
SCHEMBL27805897 0.78 ZAP70 (0.64) ZAP70SYKJAK2
SCHEMBL1048551 0.77 ZAP70 (0.80) ZAP70JAK2

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
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
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 4/4885BTK 24/4885SYK 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.