SCHEMBL4466201

SCHEMBL4466201

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.59
CHRM1 P11229 1/20 0.59
MAPT P10636 1/20 0.43
DPP9 Q86TI2 1/20 0.42
FAP Q12884 2/20 0.42

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
SCHEMBL4466198 1.00 DPP4 (0.59) DPP4CHRM1MAPTDPP9FAP
SCHEMBL4471195 1.00 DPP4 (0.59) DPP4CHRM1MAPTDPP9FAP
SCHEMBL8270903 0.88 DPP4 (0.60) DPP4CHRM1DPP9FAP
SCHEMBL4486270 0.87 DPP4 (0.59) DPP4CHRM1MAPTDPP9FAP
SCHEMBL4460783 0.87 DPP4 (0.59) DPP4CHRM1MAPTDPP9FAP
SCHEMBL4485715 0.85 DPP4 (0.51) DPP4CHRM1
SCHEMBL4483700 0.85 DPP4 (0.51) DPP4CHRM1
SCHEMBL4471886 0.83 DPP4 (0.58) DPP4CHRM1DPP9FAP
SCHEMBL4471876 0.83 DPP4 (0.58) DPP4CHRM1DPP9FAP
SCHEMBL4475662 0.83 DPP4 (0.58) DPP4CHRM1DPP9FAP

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-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 318/4885MAPT 387/4885

“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.