SCHEMBL2185867

SCHEMBL2185867

CC(C)(C)OC(=O)NC1CCCN(c2ccnc3ccc(-c4nccc(=O)[nH]4)cc23)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.47
AURKA O14965 3/20 0.45
PDPK1 O15530 3/20 0.45
AURKB Q96GD4 3/20 0.45
PDE10A Q9Y233 2/20 0.45
SYK P43405 2/20 0.44
BTK Q06187 2/20 0.42
JAK3 P52333 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MET P08581 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
RET P07949 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
DPP4 P27487 1/20 0.39
BRD4 O60885 2/20 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
SCHEMBL2185869 1.00 MAP4K4 (0.47) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL2207462 0.83 MAP4K4 (0.46) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL2207457 0.83 MAP4K4 (0.46) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL2185110 0.83 MAP4K4 (0.52) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL2185107 0.83 MAP4K4 (0.52) MAP4K4AURKAPDPK1AURKBPDE10A
Trifluoromethanesulfonic Acid SCHEMBL27824179 0.82 SYK (0.46) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL24967753 0.81 DYRK1A (0.55) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL20292872 0.81 DYRK1A (0.55) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL13457688 0.81 MAP4K4 (0.44) MAP4K4AURKAPDPK1AURKBPDE10A
SCHEMBL2265528 0.80 MAP4K4 (0.45) MAP4K4AURKAPDPK1AURKBPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
EP-2342190-A1 BICYCLIC KINASE INHIBITORS Novartis AG (CH) 2011-07-13 EP disclosed
WO-2010026121-A1 BICYCLIC KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 MAP4K4 115/4885AURKA 556/4885PDPK1 50/4885

“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.