SCHEMBL2076566

SCHEMBL2076566

O=C1Nc2cc(Br)cnc2C12CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.41
RAF1 P04049 1/20 0.41
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
PGR P06401 6/20 0.35
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL17436172 0.95 MAPK14 (0.37) MAPK14RAF1PDE4APDE4BPDE4C
SCHEMBL1223346 0.89 MAPK14 (0.35) MAPK14RAF1PDE4APDE4BPDE4C
SCHEMBL1223825 0.88 MAPK14 (0.45) MAPK14RAF1PDE4APDE4BPDE4C
SCHEMBL2076592 0.88 MAPK14 (0.45) MAPK14RAF1PDE4APDE4BPDE4C
SCHEMBL1224129 0.85 MAPK14 (0.38) MAPK14RAF1AKR1B1
SCHEMBL31034391 0.77 DYRK1A (0.37) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL29337362 0.77 DYRK1A (0.37) AURKADAPK3JAK2PRKD3MAP4K4
SCHEMBL2073689 0.77 MAPK14 (0.40) MAPK14RAF1HTT
SCHEMBL13650358 0.76 MAPK14 (0.44) MAPK14RAF1PDE4APDE4BPDE4C
SCHEMBL1233902 0.76 HTR6 (0.40) MAPK14PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
EP-2280943-B1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDO]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL SA (ES) 2013-11-06 EP disclosed
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 US disclosed
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 US disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 EP disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 EP 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-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MAPK14 25/4885RAF1 71/4885PDE4A 993/4885

“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.