SCHEMBL6698754

SCHEMBL6698754

COC(=O)c1ccc(NCC(C)(C)N)nc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
HCAR3 P49019 6/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GABRA5 P31644 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
NNMT P40261 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL6700940 0.85 NNMT (0.59) HCAR3HCAR2NNMT
SCHEMBL24774175 0.84 MAPK1 (0.51) MAPK1HCAR3KDM4EL3MBTL1GABRA5
SCHEMBL29364292 0.82 HCAR3 (0.46) HCAR3HCAR2NNMT
SCHEMBL6700450 0.82 HCAR3 (0.46) HCAR3HCAR2NNMT
SCHEMBL692654 0.80 HCAR3 (0.71) MAPK1HCAR3KDM4EL3MBTL1GABRA5
SCHEMBL6696009 0.79 HCAR3 (0.42) HCAR3L3MBTL1HCAR2NNMTMAPT
SCHEMBL13043454 0.79 HCAR3 (0.57) MAPK1HCAR3KDM4EL3MBTL1GABRA5
SCHEMBL13739418 0.77 MAPK1 (0.61) MAPK1HCAR3KDM4EL3MBTL1GABRA5
SCHEMBL693630 0.76 HCAR3 (0.50) MAPK1HCAR3KDM4EL3MBTL1GABRA5
SCHEMBL6984008 0.75 HCAR3 (0.68) MAPK1HCAR3KDM4EL3MBTL1GABRA5

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 MAPK1 3092/4885HCAR3 1095/4885KDM4E 2945/4885

“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.