SCHEMBL3974641

SCHEMBL3974641

Cn1c(NCc2ccccc2)nc2nc(N3CCCC(N)C3)n(Cc3cccc(C(F)(F)F)c3)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.53
GAA P10253 1/20 0.48
FAP Q12884 2/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.44
HTT P42858 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
SCHEMBL3972974 0.93 DPP4 (0.49) DPP4GAAFAP
SCHEMBL3970532 0.92 DPP4 (0.57) DPP4FAPLMNAKCNH2
SCHEMBL3966257 0.90 DPP4 (0.65) DPP4FAPLMNAKCNH2
SCHEMBL3969513 0.89 DPP4 (0.56) DPP4FAPLMNAKCNH2
SCHEMBL3974999 0.89 DPP4 (0.51) DPP4FAPKCNH2
Trifluoroacetic Acid SCHEMBL1071792 0.88 DPP4 (0.58) DPP4FAPLMNA
SCHEMBL3973526 0.88 DPP4 (0.56) DPP4FAPLMNAKCNH2
SCHEMBL3971230 0.88 DPP4 (0.55) DPP4FAPLMNAKCNH2
SCHEMBL3975642 0.87 DPP4 (0.61) DPP4GAAFAPLMNAKCNH2
SCHEMBL3972243 0.87 DPP4 (0.59) DPP4FAPLMNAKCNH2HTT

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 1/4885GAA 261/4885FAP 48/4885

“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.