SCHEMBL3970558

SCHEMBL3970558

COc1ccc(Cn2c(NCc3ccccc3)nc3nc(N4CCCC(N)C4)n(Cc4ccccc4)c3c2=O)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.52
CYP3A4 P08684 4/20 0.52
CHRM1 P11229 1/20 0.48
FAP Q12884 1/20 0.46

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
SCHEMBL3966268 0.87 DPP4 (0.52) DPP4CYP3A4CHRM1FAP
SCHEMBL3970956 0.86 DPP4 (0.58) DPP4CYP3A4CHRM1FAP
SCHEMBL3972317 0.85 DPP4 (0.58) DPP4CYP3A4FAP
SCHEMBL3969378 0.85 DPP4 (0.51) DPP4FAP
SCHEMBL3968673 0.84 DPP4 (0.53) DPP4CYP3A4CHRM1
SCHEMBL3971411 0.83 DPP4 (0.56) DPP4CHRM1FAP
SCHEMBL3971487 0.83 DPP4 (0.58) DPP4FAP
SCHEMBL4082595 0.83 DPP4 (0.53) DPP4CYP3A4FAP
SCHEMBL3967148 0.83 DPP4 (0.54) DPP4CYP3A4FAP
SCHEMBL3969500 0.83 DPP4 (0.54) DPP4CYP3A4FAP

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 1/4885CYP3A4 160/4885CHRM1 1289/4885

“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.