SCHEMBL3977307

SCHEMBL3977307

NC1CCCN(c2nc3nc(CCc4ccccc4)n(CC4CCCCC4)c(=O)c3n2Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.54
FAP Q12884 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL3966292 0.96 DPP4 (0.55) DPP4FAPCYP3A4ALDH1A1LMNA
SCHEMBL3973694 0.89 DPP4 (0.55) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3966188 0.88 DPP4 (0.58) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3977509 0.88 DPP4 (0.55) DPP4FAPCYP3A4ALDH1A1LMNA
SCHEMBL3971468 0.88 DPP4 (0.55) DPP4FAPCYP3A4
SCHEMBL3969493 0.87 DPP4 (0.59) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3971290 0.87 DPP4 (0.57) DPP4FAPALDH1A1LMNAMAPT
SCHEMBL3969956 0.86 DPP4 (0.51) DPP4FAPKCNH2
SCHEMBL3975592 0.86 DPP4 (0.54) DPP4FAPCYP3A4ALDH1A1LMNA
SCHEMBL3970443 0.86 DPP4 (0.56) DPP4FAPCYP3A4ALDH1A1LMNA

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 1/4885FAP 48/4885ADORA3 41/4885

“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.