SCHEMBL3972033

SCHEMBL3972033

CN(CCO)c1nc2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c(=O)n1C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.61
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
FAP Q12884 1/20 0.49
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3969270 0.92 DPP4 (0.62) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3968526 0.91 DPP4 (0.60) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971217 0.91 DPP4 (0.64) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3966107 0.90 DPP4 (0.59) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3974484 0.89 DPP4 (0.67) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3974645 0.86 DPP4 (0.65) DPP4ALDH1A1LMNAMAPTTSHR
Trifluoroacetic Acid SCHEMBL3971510 0.85 DPP4 (0.59) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971432 0.85 DPP4 (0.73) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3964227 0.84 DPP4 (0.72) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971182 0.83 DPP4 (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP disclosed
EP-1532150-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
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
WO-2004018469-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO 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 241/4885LMNA 3727/4885

“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.