SCHEMBL7010860

SCHEMBL7010860

O=C(O)NC1CCCN(c2nc3ncn(CC(=O)c4ccccc4)c(=O)c3n2Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
CHRM1 P11229 4/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL3973862 0.88 DPP4 (0.57) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL6843750 0.85 DPP4 (0.48) DPP4ALDH1A1LMNAMAPTTSHR
Trifluoroacetic Acid SCHEMBL3969598 0.84 DPP4 (0.53) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL6843026 0.81 DPP4 (0.48) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL6838812 0.79 DPP4 (0.53) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL6838716 0.79 DPP4 (0.53) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL6843652 0.79 DPP4 (0.42) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3970965 0.79 DPP4 (0.51) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL3975531 0.79 DPP4 (0.51) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL6843487 0.78 DPP4 (0.54) DPP4ALDH1A1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885L3MBTL1 3258/4885GAA 261/4885

“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.