SCHEMBL2185335

SCHEMBL2185335

CC(C)(C)OC(=O)NC1CCCN(c2ccnc3cnc(Cl)cc23)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.53
JAK3 P52333 2/20 0.53
MAP4K4 O95819 2/20 0.50
PDE10A Q9Y233 2/20 0.49
SYK P43405 1/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
AURKA O14965 3/20 0.44
PDPK1 O15530 3/20 0.44
AURKB Q96GD4 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43
F10 P00742 1/20 0.43
RET P07949 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL2185339 1.00 BTK (0.53) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2203481 0.85 MAP4K4 (0.48) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2203484 0.85 MAP4K4 (0.48) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2185107 0.85 MAP4K4 (0.52) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2185110 0.85 MAP4K4 (0.52) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2201869 0.84 BTK (0.45) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2201866 0.84 BTK (0.45) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2207373 0.84 BTK (0.45) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2207377 0.84 BTK (0.45) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL2205071 0.83 BTK (0.52) BTKJAK3MAP4K4PDE10ASYK

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-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 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.