SCHEMBL3929100

SCHEMBL3929100

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1nccc(-c3ccccc3)n1)c(=O)n2C

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.74
FAP Q12884 7/20 0.74
DPP9 Q86TI2 1/20 0.63

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
SCHEMBL3917495 0.86 DPP4 (0.82) DPP4FAPDPP9
SCHEMBL3928140 0.85 DPP4 (0.73) DPP4FAPDPP9
SCHEMBL1772217 0.85 DPP4 (0.78) DPP4FAPDPP9
SCHEMBL1772216 0.85 DPP4 (0.78) DPP4FAPDPP9
SCHEMBL5373306 0.83 DPP4 (0.70) DPP4FAPDPP9
SCHEMBL1772451 0.83 DPP4 (1.00) DPP4FAPDPP9
SCHEMBL3931203 0.82 DPP4 (0.72) DPP4FAPDPP9
SCHEMBL3922620 0.81 DPP4 (0.77) DPP4FAPDPP9
SCHEMBL3916534 0.81 DPP4 (0.81) DPP4FAPDPP9
SCHEMBL3930920 0.81 DPP4 (0.81) DPP4FAPDPP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550455-B2 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-23 US disclosed
US-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 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-20050130985-A1 8-(piperazin-1yl)- and 8-([1,4]diazepan-1yl)-xanthines, the preparation thereof and their use as pharmaceutical composition DPP8, DPP4, DPP7 DPP4 2/4885FAP 22/4885DPP9 5/4885

“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.