SCHEMBL2073689

SCHEMBL2073689

O=C1Nc2cc(Br)cnc2C12CCC(N1CCOCC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
OPRL1 P41146 2/20 0.37
IRAK4 Q9NWZ3 6/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
RAF1 P04049 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 1/20 0.32
CNR1 P21554 1/20 0.32
PRCP P42785 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRK1 P41145 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL1223825 0.83 MAPK14 (0.45) MAPK14ALDH1A1LMNATP53HTT
SCHEMBL1232114 0.79 MAPK14 (0.54) MAPK14OPRL1IRAK4ALDH1A1LMNA
SCHEMBL17436172 0.78 MAPK14 (0.37) MAPK14HTTRAF1HSD17B10
SCHEMBL2076566 0.77 MAPK14 (0.41) MAPK14HTTRAF1
SCHEMBL1223346 0.73 MAPK14 (0.35) MAPK14HTTRAF1
SCHEMBL1224129 0.73 MAPK14 (0.38) MAPK14TP53RAF1
SCHEMBL2076592 0.72 MAPK14 (0.45) MAPK14RAF1
SCHEMBL15167341 0.70 IRAK4 (0.41) OPRL1IRAK4HRH3
SCHEMBL15180476 0.70 IRAK4 (0.41) OPRL1IRAK4HRH3
SCHEMBL5976584 0.68 MAPK14 (0.51) MAPK14RAF1EPHX2

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 8 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
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 WO 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 25/4885OPRL1 1483/4885IRAK4 600/4885

“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.