SCHEMBL4464028

SCHEMBL4464028

CC#CCn1c(N(C)CC(C)(C)N)nc2c1c(=O)n(Cc1ccc(C#N)cc1)c(=O)n2C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.48
FAP Q12884 3/20 0.44
CHRM1 P11229 1/20 0.43
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4461262 0.90 DPP4 (0.61) DPP4FAPCHRM1MEN1POLB
SCHEMBL13936192 0.88 DPP4 (0.42) DPP4FAPDPP9
SCHEMBL4475040 0.85 KMT2A (0.52) DPP4KMT2A
SCHEMBL4473001 0.84 DPP4 (0.46) DPP4FAPCHRM1
SCHEMBL8273218 0.84 DPP4 (0.45) DPP4FAPCHRM1DPP9
SCHEMBL4464092 0.83 DPP4 (0.46) DPP4CHRM1KMT2ADPP9
SCHEMBL13936194 0.82 DPP4 (0.60) DPP4FAPCHRM1KMT2ADPP9
SCHEMBL13936197 0.82 DPP4 (0.42) DPP4FAPCHRM1DPP9
SCHEMBL8273195 0.82 DPP4 (0.45) DPP4FAPDPP9
SCHEMBL8273197 0.81 DPP4 (0.41) DPP4FAPCHRM1DPP9

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
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-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 110/4885CHRM1 318/4885

“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.