SCHEMBL3976746

SCHEMBL3976746

Cn1c(NCc2ccco2)nc2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.58
FAP Q12884 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.46
PKM P14618 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KCNH2 Q12809 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL3966233 0.94 DPP4 (0.53) DPP4FAPLMNAMAPTTSHR
SCHEMBL3966257 0.90 DPP4 (0.65) DPP4FAPLMNAMAPTTSHR
SCHEMBL3964212 0.89 DPP4 (0.51) DPP4FAPLMNAMAPTTSHR
SCHEMBL3975642 0.88 DPP4 (0.61) DPP4FAPLMNAMAPTTSHR
SCHEMBL4209091 0.87 DPP4 (0.55) DPP4FAPLMNAMAPTTSHR
SCHEMBL3974488 0.87 DPP4 (0.65) DPP4FAPLMNAMAPTTSHR
SCHEMBL3971354 0.86 DPP4 (0.60) DPP4FAPLMNAMAPTTSHR
SCHEMBL3967659 0.86 DPP4 (0.60) DPP4FAPLMNAMAPTTSHR
SCHEMBL3964222 0.86 DPP4 (0.58) DPP4FAPLMNAMAPTTSHR
SCHEMBL3969471 0.86 DPP4 (0.58) DPP4FAPLMNAMAPTTSHR

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 48/4885LMNA 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.