SCHEMBL6838796

SCHEMBL6838796

CNc1nc2nc(N3CCCC(NC(=O)O)C3)n(Cc3ccccc3)c2c(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.51
TSHR P16473 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
FAP Q12884 1/20 0.42

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
SCHEMBL6843644 0.92 TSHR (0.53) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL6846144 0.92 DPP4 (0.49) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL6838716 0.90 DPP4 (0.53) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL6838812 0.90 DPP4 (0.53) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL6846148 0.90 DPP4 (0.48) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL6843487 0.89 DPP4 (0.54) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL6838791 0.89 DPP4 (0.47) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL7008737 0.87 MAPT (0.49) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL6843776 0.87 DPP4 (0.50) DPP4TSHRALDH1A1LMNAMAPT
SCHEMBL3970061 0.87 DPP4 (0.67) DPP4TSHRALDH1A1LMNAMAPT

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 2158/4885ALDH1A1 241/4885

“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.