SCHEMBL1487574

SCHEMBL1487574

CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 8/20 0.34
AAK1 Q2M2I8 6/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
IMPDH1 P20839 1/20 0.31
ELANE P08246 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
SCHEMBL8313386 0.87 IMPDH2 (0.35) IMPDH2GSK3BMEN1KMT2AGAA
SCHEMBL13753911 0.86 AAK1 (0.33) IMPDH2AAK1IMPDH1ELANE
SCHEMBL6279232 0.86 GAA (0.34) IMPDH2GSK3BMEN1KMT2AGAA
SCHEMBL1614459 0.84 DYRK1A (0.38) IMPDH2AAK1MEN1KMT2AGAA
SCHEMBL13746216 0.81 PTGDR2 (0.32) IMPDH2GSK3BPTGDR2IMPDH1
SCHEMBL22591311 0.80 GSK3B (0.33) IMPDH2GSK3BMEN1KMT2AGAA
SCHEMBL4246037 0.73 ENPP3 (0.34) PTGDR2ELANE
SCHEMBL13745538 0.71 BRD4 (0.40) GSK3BMEN1KMT2A
SCHEMBL8320919 0.70 PTGDR2 (0.34) PTGDR2
SCHEMBL22591370 0.66 IMPDH2 (0.33) IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-20060270646-A1 Jnk inhibitors EISAI CO., LTD. (JP) 2006-11-30 US disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 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 (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-20060270646-A1 Jnk inhibitors MAPKAPK2, MAPK1, MAPKAPK3 IMPDH2 4189/4885AAK1 170/4885GSK3B 201/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 IMPDH2 4142/4885AAK1 182/4885GSK3B 227/4885

“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.