SCHEMBL2386992

SCHEMBL2386992

CN1CCCC(NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
GAA P10253 2/20 0.47
CTSK P43235 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NAAA Q02083 1/20 0.41
BTK Q06187 1/20 0.41
NAMPT P43490 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37
KCNA3 P22001 1/20 0.37

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
SCHEMBL2386997 1.00 F2 (0.48) F2F10PRSS1GAACTSK
SCHEMBL4097703 1.00 F2 (0.48) F2F10PRSS1GAACTSK
SCHEMBL5637239 0.96 GAA (0.46) F2F10PRSS1GAACTSK
SCHEMBL2456097 0.96 GAA (0.46) F2F10PRSS1GAACTSK
SCHEMBL2456099 0.96 GAA (0.46) F2F10PRSS1GAACTSK
SCHEMBL2460778 0.96 GAA (0.46) F2F10PRSS1GAACTSK
SCHEMBL2458360 0.91 GAA (0.49) F2F10PRSS1GAACTSK
SCHEMBL21887787 0.91 GAA (0.49) F2F10PRSS1GAACTSK
SCHEMBL4099515 0.91 GAA (0.49) F2F10PRSS1GAACTSK
SCHEMBL4099514 0.91 GAA (0.49) F2F10PRSS1GAACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481541-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20110230414-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
US-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2009-06-11 US disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US 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 (2 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-20090149443-A1 P38 INHIBITORS AND METHODS OF USE THEREOF MAPK1, MAPK4, BRIX1 F2 4577/4885F10 3600/4885PRSS1 3232/4885
US-20110230414-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 F2 1083/4885F10 1331/4885PRSS1 807/4885

“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.