SCHEMBL3614441

SCHEMBL3614441

CC(C)(C)OC(=O)N1CCN(c2[nH]c(-c3ccnc(C=Cc4ccc(CN5CCOCC5)cc4)c3)cc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.51
AURKA O14965 1/20 0.51
JAK2 O60674 1/20 0.51
LCK P06239 1/20 0.51
MET P08581 1/20 0.51
KIT P10721 1/20 0.51
MAPK1 P28482 1/20 0.51
KDR P35968 1/20 0.51
SYK P43405 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
GSK3B P49841 1/20 0.51
JAK3 P52333 1/20 0.51
EPHB4 P54760 1/20 0.51
PDK1 Q15118 1/20 0.51
MAPKAPK5 Q8IW41 1/20 0.51
TBK1 Q9UHD2 16/20 0.44
GPR119 Q8TDV5 1/20 0.39
NSD2 O96028 1/20 0.38

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
SCHEMBL3614439 1.00 MAPKAPK2 (0.51) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL14283715 0.90 MAPKAPK2 (0.52) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3623094 0.86 MAPKAPK2 (0.41) MAPKAPK2KITTBK1GPR119
SCHEMBL3623096 0.86 MAPKAPK2 (0.41) MAPKAPK2KITTBK1GPR119
SCHEMBL3610342 0.86 KIT (0.46) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3610339 0.86 KIT (0.46) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL13408161 0.84 MAPKAPK2 (0.57) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3604476 0.84 MAPKAPK2 (0.39) MAPKAPK2KITTBK1GPR119
SCHEMBL3604480 0.84 MAPKAPK2 (0.39) MAPKAPK2KITTBK1GPR119
SCHEMBL3616501 0.83 GPR119 (0.40) MAPKAPK2KITTBK1GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 MAPKAPK2 4395/4885AURKA 1297/4885JAK2 1090/4885

“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.