SCHEMBL16625930

SCHEMBL16625930

CCc1nnc(CNC(=O)OC(C)(C)C)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
KDM4A O75164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GFER P55789 2/20 0.40
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL13977598 0.93 KDM4E (0.49) KDM4ELMNATDP1HTTKDM4A
SCHEMBL16628028 0.86 KDM4E (0.44) KDM4ELMNATDP1HTTKDM4A
SCHEMBL26328793 0.82 HTT (0.47) KDM4ELMNATDP1HTTKDM4A
SCHEMBL26328784 0.81 KDM4E (0.43) KDM4ELMNATDP1HTTKDM4A
SCHEMBL26328796 0.79 KDM4E (0.38) KDM4ELMNATDP1HTTKDM4A
SCHEMBL25497278 0.77 HDAC1 (0.47) KDM4ACYP1A2CA12CA1NAMPT
SCHEMBL25063332 0.77 GAA (0.44) KDM4ELMNATDP1HTTKDM4A
SCHEMBL22535990 0.77 TDP1 (0.44) KDM4ELMNATDP1HTTKDM4A
SCHEMBL26328902 0.76 MAPT (0.42) KDM4ELMNATDP1KDM4AL3MBTL1
SCHEMBL17035934 0.76 KDM4A (0.47) KDM4ELMNATDP1KDM4AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533957-B2 Tetrazines and method of synthezising the same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-03 US disclosed
US-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-09 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-20150099277-A1 NOVEL TETRAZINES AND METHOD OF SYNTHEZISING THE SAME NBAS, NAA15, TALDO1 KDM4E 3377/4885LMNA 2334/4885TDP1 537/4885

“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.