SCHEMBL6701443

SCHEMBL6701443

CC(C)(N)CNc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL13392101 0.86 ADORA2A (0.51) ADORA2AMEN1KMT2APKMHTT
SCHEMBL14420962 0.83 MEN1 (0.45) ADORA2AMEN1KMT2APKMHTT
SCHEMBL14417076 0.78 ADORA2A (0.39) ADORA2AMEN1KMT2APKMHTT
SCHEMBL6703235 0.76 ADORA2A (0.41) ADORA2AMEN1KMT2APKMHTT
SCHEMBL306157 0.75
SCHEMBL1906359 0.75
SCHEMBL8350779 0.75 NPC1 (0.49) ADORA2AMEN1KMT2APKMNPSR1
SCHEMBL622574 0.74 MEN1 (0.45) MEN1KMT2APKMGAASMN1; SMN2
SCHEMBL12932868 0.74 SMN1; SMN2 (0.41) ADORA2AMEN1KMT2APKMHTT
Hydrochloric Acid SCHEMBL6991855 0.74

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 ADORA2A 2568/4885MEN1 3315/4885KMT2A 4164/4885

“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.