SCHEMBL2205071

SCHEMBL2205071

CC(C)(C)OC(=O)N[C@H]1CCCN(c2c(F)cnc3cnc(Cl)cc23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.52
JAK3 P52333 2/20 0.52
MAP4K4 O95819 2/20 0.47
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
PDE10A Q9Y233 1/20 0.43
SYK P43405 1/20 0.42
AURKA O14965 3/20 0.42
PDPK1 O15530 3/20 0.42
AURKB Q96GD4 3/20 0.42
F10 P00742 1/20 0.42
MET P08581 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.40
NTRK1 P04629 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL2205066 1.00 BTK (0.52) BTKJAK3MAP4K4ALOX5APFEN1
SCHEMBL2263804 0.84 BTK (0.44) BTKJAK3MAP4K4ALOX5APFEN1
SCHEMBL2263800 0.84 BTK (0.44) BTKJAK3MAP4K4ALOX5APFEN1
SCHEMBL2185335 0.83 BTK (0.53) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2185339 0.83 BTK (0.53) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL28790212 0.82 MEN1 (0.37) BTKMEN1KMT2A
SCHEMBL2231879 0.77 CYP8B1 (0.40) BTKMEN1KMT2A
SCHEMBL31262771 0.77 BTK (0.57) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL31262585 0.77 BTK (0.57) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL12367226 0.77 ADRB2 (0.42) JAK3MEN1KMT2A

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 5 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-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 BTK 73/4885JAK3 217/4885MAP4K4 115/4885

“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.