SCHEMBL26436181

SCHEMBL26436181

COC(=O)c1ccc(Nc2ccncc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
HCAR3 P49019 1/20 0.53
ROCK1 Q13464 1/20 0.51
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGDS O60760 1/20 0.48
GRM5 P41594 4/20 0.47
MAPT P10636 2/20 0.47
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NAMPT P43490 1/20 0.43
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL64414 0.86 HCAR3 (0.71) MAPK1HCAR3ROCK1KDM4EL3MBTL1
SCHEMBL26436204 0.83 HCAR3 (0.76) HCAR3GRM5
SCHEMBL23999861 0.80 KMT2A (0.57) MAPK1ROCK1KDM4EL3MBTL1ALDH1A1
SCHEMBL989845 0.79 GRM5 (0.62) MAPK1HCAR3ROCK1KDM4EL3MBTL1
SCHEMBL4871031 0.79 ROCK1 (0.62) ROCK1KDM4ENPC1RAB9AMEN1
SCHEMBL29498889 0.77 MAPK1 (0.48) MAPK1HCAR3ROCK1KDM4EL3MBTL1
SCHEMBL22235635 0.77 MAPK1 (0.48) MAPK1HCAR3ROCK1KDM4EL3MBTL1
SCHEMBL6984008 0.77 HCAR3 (0.68) MAPK1HCAR3KDM4EL3MBTL1ALDH1A1
SCHEMBL8506592 0.76 MEN1 (0.55) ROCK1KDM4EALDH1A1MAPTIKBKE
SCHEMBL22236084 0.76 KDM4E (0.51) MAPK1HCAR3KDM4EL3MBTL1ALDH1A1

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-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 US disclosed
US-20230127046-A1 G9a INHIBITOR RIKEN (JP) 2023-04-27 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-20230127046-A1 G9a INHIBITOR EZH2, BMI1, DOT1L MAPK1 1495/4885HCAR3 4650/4885ROCK1 354/4885

“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.