SCHEMBL3972317

SCHEMBL3972317

COc1ccccc1Cn1c(N2CCCC(N)C2)nc2nc(NCc3ccccc3)n(C)c(=O)c21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58
FAP Q12884 2/20 0.53
CYP3A4 P08684 2/20 0.51
KCNH2 Q12809 2/20 0.49

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
SCHEMBL3966257 0.89 DPP4 (0.65) DPP4FAPKCNH2
SCHEMBL3968988 0.89 DPP4 (0.62) DPP4
SCHEMBL3969973 0.88 DPP4 (0.57) DPP4FAPCYP3A4
SCHEMBL3970956 0.88 DPP4 (0.58) DPP4FAPCYP3A4KCNH2
SCHEMBL3972115 0.88 DPP4 (0.70) DPP4FAPCYP3A4
SCHEMBL3975642 0.87 DPP4 (0.61) DPP4FAPKCNH2
SCHEMBL3973702 0.86 DPP4 (0.59) DPP4FAPKCNH2
SCHEMBL3972243 0.86 DPP4 (0.59) DPP4FAPKCNH2
SCHEMBL3971921 0.86 DPP4 (0.60) DPP4FAPCYP3A4KCNH2
SCHEMBL3967659 0.85 DPP4 (0.60) DPP4FAPKCNH2

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 8 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 claimed
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP claimed
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 claimed
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 48/4885CYP3A4 160/4885

“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.