SCHEMBL3926796

SCHEMBL3926796

CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1cc(C#N)c3ccccc3c1C#N)c(=O)n2C

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.69
FAP Q12884 6/20 0.66
DPP9 Q86TI2 1/20 0.59
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL3922169 0.91 DPP4 (0.74) DPP4FAPDPP9ALDH1A1
SCHEMBL5719413 0.89 DPP4 (0.77) DPP4FAPDPP9ALDH1A1
SCHEMBL3919809 0.86 DPP4 (0.68) DPP4FAPDPP9
Hydrochloric Acid SCHEMBL3974582 0.85 DPP4 (0.83) DPP4FAPDPP9
SCHEMBL3915949 0.83 DPP4 (0.70) DPP4FAPDPP9ALDH1A1
SCHEMBL3918344 0.83 DPP4 (0.73) DPP4FAPDPP9
SCHEMBL3922342 0.83 DPP4 (0.77) DPP4FAPDPP9ALDH1A1
SCHEMBL5364520 0.83 DPP4 (0.65) DPP4FAP
Trifluoroacetic Acid SCHEMBL5718972 0.82 DPP4 (0.68) DPP4FAPDPP9
SCHEMBL3928140 0.82 DPP4 (0.73) DPP4FAPDPP9ALDH1A1

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.