SCHEMBL4476399

SCHEMBL4476399

CC#CCn1c(N(C)CC(C)N)nc2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.48
FAP Q12884 8/20 0.48
DPP9 Q86TI2 2/20 0.37
POU2F2 P09086 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
POU2F1 P14859 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH2 P25021 1/20 0.37
MC4R P32245 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
GHSR Q92847 1/20 0.37
TRPA1 O75762 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4468648 1.00 DPP4 (0.48) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL8271565 0.90 DPP4 (0.47) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL13936215 0.90 DPP4 (0.59) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL8271564 0.89 DPP4 (0.46) DPP4FAPDPP9CHRM1TRPA1
SCHEMBL8273233 0.89 DPP4 (0.51) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL8273228 0.87 DPP4 (0.48) DPP4FAPDPP9POU2F2ADORA3
SCHEMBL8271563 0.87 DPP4 (0.48) DPP4FAPDPP9CHRM1
SCHEMBL4486305 0.85 DPP4 (0.45) DPP4FAPDPP9CHRM1TRPA1
SCHEMBL4486312 0.85 DPP4 (0.45) DPP4FAPDPP9CHRM1TRPA1
SCHEMBL8271558 0.85 DPP4 (0.46) DPP4FAPDPP9POU2F2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797093-B1 NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 EP claimed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 US claimed
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 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-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885FAP 110/4885DPP9 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.