SCHEMBL6843487

SCHEMBL6843487

Cn1c(N)nc2nc(N3CCCC(NC(=O)O)C3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.54
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
FAP Q12884 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6838716 0.91 DPP4 (0.53) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL6838812 0.91 DPP4 (0.53) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL6838796 0.89 DPP4 (0.51) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL6843776 0.88 DPP4 (0.50) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL6843086 0.87 DPP4 (0.49) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL6846144 0.87 DPP4 (0.49) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL6843644 0.87 TSHR (0.53) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL6843703 0.86 DPP4 (0.49) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL3975258 0.86 DPP4 (0.71) DPP4ALDH1A1TSHRLMNAMAPT
SCHEMBL6843026 0.86 DPP4 (0.48) DPP4ALDH1A1TSHRLMNAMAPT

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 1/4885ALDH1A1 241/4885TSHR 2158/4885

“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.