SCHEMBL3972220

SCHEMBL3972220

Cn1c(CCc2ccccc2)nc2nc(N3CCCC(N)C3)n(Cc3cccc(Br)c3)c2c1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.57
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
FAP Q12884 1/20 0.48
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 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
SCHEMBL3971403 0.92 DPP4 (0.67) DPP4LMNATSHRFAPALDH1A1
SCHEMBL3970981 0.91 DPP4 (0.58) DPP4LMNATSHRFAPALDH1A1
SCHEMBL3974328 0.91 DPP4 (0.60) DPP4LMNATSHRFAPCYP3A4
SCHEMBL3971474 0.89 DPP4 (0.64) DPP4LMNATSHRFAPALDH1A1
SCHEMBL3976156 0.88 DPP4 (0.55) DPP4LMNATSHRFAPALDH1A1
SCHEMBL3971496 0.88 DPP4 (0.56) DPP4LMNATSHRFAPALDH1A1
SCHEMBL3966338 0.88 DPP4 (0.60) DPP4LMNATSHRALDH1A1MAPT
SCHEMBL3971737 0.87 DPP4 (0.62) DPP4LMNATSHRFAPALDH1A1
SCHEMBL3971925 0.87 DPP4 (0.60) DPP4LMNATSHRFAPALDH1A1
SCHEMBL3965786 0.87 DPP4 (0.61) DPP4LMNATSHRFAPALDH1A1

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 1/4885LMNA 3727/4885TSHR 2158/4885

“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.