SCHEMBL3972771

SCHEMBL3972771

COC1(C[O])N=c2ccccc2=N1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4191636 0.71 KDM4E (0.35) KDM4EHCRTR1LMNAMAPTL3MBTL1
SCHEMBL3968948 0.68 KDM4E (0.33) KDM4EHCRTR1LMNAMAPT
SCHEMBL3962249 0.67 KDM4E (0.32) KDM4EHCRTR1LMNAMAPTCA12
SCHEMBL3972388 0.67 KDM4E (0.33) KDM4EHCRTR1LMNAMAPT
SCHEMBL3970496 0.67 KDM4E (0.33) KDM4EHCRTR1LMNAMAPT
SCHEMBL3970831 0.67 KDM4E (0.33) KDM4EHCRTR1LMNAMAPT
SCHEMBL3969182 0.65 BACE1 (0.34) KDM4EHCRTR1LMNAMAPT
SCHEMBL3968216 0.64 KDM4E (0.31) KDM4EHCRTR1LMNAMAPT
SCHEMBL3969714 0.64 MAPT (0.31) KDM4EHCRTR1LMNAMAPT
SCHEMBL3973658 0.64 KDM4E (0.30) KDM4EHCRTR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 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 (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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 KDM4E 2397/4885HCRTR1 3355/4885LMNA 435/4885

“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.