SCHEMBL4474936

SCHEMBL4474936

CC#CCn1c(N(C)CCN)nc2c1c(=O)n(Cc1nc(C)cc3ccccc13)c(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.60
CHRM1 P11229 2/20 0.60
FAP Q12884 4/20 0.42
DPP9 Q86TI2 2/20 0.41
POU2F2 P09086 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
POU2F1 P14859 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH2 P25021 1/20 0.41
MC4R P32245 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
GHSR Q92847 1/20 0.41

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
SCHEMBL13955140 0.90 DPP4 (0.49) DPP4CHRM1
SCHEMBL4471886 0.89 DPP4 (0.58) DPP4CHRM1FAPDPP9POU2F2
SCHEMBL4472182 0.89 DPP4 (0.58) DPP4CHRM1FAPDPP9POU2F2
SCHEMBL4471876 0.89 DPP4 (0.58) DPP4CHRM1FAPDPP9POU2F2
SCHEMBL4475662 0.89 DPP4 (0.58) DPP4CHRM1FAPDPP9POU2F2
SCHEMBL13936179 0.87 DPP4 (0.58) DPP4CHRM1FAPDPP9POU2F2
SCHEMBL8272013 0.87 DPP4 (0.58) DPP4CHRM1FAPDPP9POU2F2
SCHEMBL8273232 0.87 DPP4 (0.46) DPP4CHRM1FAPDPP9POU2F2
SCHEMBL8272025 0.85 DPP4 (0.47) DPP4CHRM1FAPDPP9POU2F2
SCHEMBL8273223 0.84 DPP4 (0.51) DPP4CHRM1FAPDPP9POU2F2

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 6 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-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 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-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 1/4885CHRM1 318/4885FAP 110/4885

“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.