SCHEMBL4563149

SCHEMBL4563149

CC(C)(C)OC(=O)n1nc(CBr)c2ccnnc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
ELANE P08246 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
KRAS P01116 1/20 0.30
MAP2K4 P45985 1/20 0.30

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
SCHEMBL2883080 0.82 POLB (0.41) FAAHPOLBELANEGPR119
SCHEMBL29587624 0.82 POLB (0.41) FAAHPOLBELANEGPR119
SCHEMBL13425474 0.80 GPR119 (0.36) FAAHELANEGPR119MAP2K4
SCHEMBL29588107 0.79 FAAH (0.33) FAAHJAK2JAK1ELANEGPR119
SCHEMBL3099665 0.79 FAAH (0.33) FAAHJAK2JAK1ELANEGPR119
SCHEMBL3347471 0.75 CHRM2 (0.43) FAAHBCHEELANEMAP2K4
SCHEMBL29588521 0.75 CHRM2 (0.43) FAAHBCHEELANEMAP2K4
SCHEMBL30676360 0.74 AAK1 (0.34) FAAHELANE
SCHEMBL1585005 0.74 AAK1 (0.34) FAAHELANE
SCHEMBL15724311 0.72 MAP2K4 (0.40) FAAHELANEGPR119MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134711-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-12-23 EP disclosed
US-20080293664-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-11-27 US disclosed
WO-2008122534-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
WO-2008122534-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 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-20080293664-A1 Non-nucleoside reverse transcriptase inhibitors XDH, REV1, RTF1 FAAH 3385/4885JAK2 2598/4885JAK1 1297/4885

“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.