SCHEMBL3969966

SCHEMBL3969966

NC1CCCN(c2nc3nc(CCc4ccccc4)n(Cc4cccc(C(F)(F)F)c4)c(=O)c3n2Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.50
FAP Q12884 1/20 0.43
IDH2 P48735 1/20 0.42

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
SCHEMBL3976156 0.92 DPP4 (0.55) DPP4FAP
SCHEMBL3968649 0.91 DPP4 (0.57) DPP4FAP
SCHEMBL3971258 0.88 DPP4 (0.48) DPP4FAP
SCHEMBL3972974 0.86 DPP4 (0.49) DPP4FAPIDH2
SCHEMBL3971154 0.86 DPP4 (0.58) DPP4FAP
SCHEMBL3971468 0.86 DPP4 (0.55) DPP4FAP
SCHEMBL3977509 0.86 DPP4 (0.55) DPP4FAP
SCHEMBL3972356 0.85 DPP4 (0.48) DPP4
SCHEMBL3973731 0.85 DPP4 (0.50) DPP4FAP
SCHEMBL3971290 0.85 DPP4 (0.57) DPP4FAP

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 3 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
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

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 48/4885IDH2 2615/4885

“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.