SCHEMBL6846137

SCHEMBL6846137

O=C(O)NC1CCCN(c2nc3nc(SCc4ccccc4)[nH]c(=O)c3n2Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
MDM2 Q00987 2/20 0.39
IDH1 O75874 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 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
SCHEMBL6843651 0.93 ALDH1A1 (0.42) DPP4TSHRNPSR1MEN1KMT2A
SCHEMBL6843123 0.91 TSHR (0.44) DPP4TSHRNPSR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3971190 0.84 DPP4 (0.48) DPP4TSHRNPSR1MEN1KMT2A
SCHEMBL6843703 0.83 DPP4 (0.49) DPP4TSHRNPSR1ALDH1A1LMNA
SCHEMBL6843652 0.82 DPP4 (0.42) DPP4TSHRNPSR1MEN1KMT2A
SCHEMBL6838716 0.80 DPP4 (0.53) DPP4TSHRNPSR1ALDH1A1LMNA
Potassium Ion SCHEMBL6843821 0.79 TSHR (0.44) DPP4TSHRNPSR1MEN1KMT2A
SCHEMBL6843497 0.79 DPP4 (0.45) DPP4TSHRNPSR1ALDH1A1LMNA
SCHEMBL6838812 0.78 DPP4 (0.53) DPP4TSHRNPSR1ALDH1A1LMNA
SCHEMBL6843491 0.77 DPP4 (0.48) DPP4TSHRNPSR1ALDH1A1LMNA

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 1/4885TSHR 2158/4885NPSR1 1761/4885

“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.