SCHEMBL13324935

SCHEMBL13324935

CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1nc(=O)c3ccccc3o1)c(=O)n2C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59
CHRM1 P11229 4/20 0.58
POU2F2 P09086 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
POU2F1 P14859 1/20 0.58
CHRM3 P20309 1/20 0.58
HRH2 P25021 1/20 0.58
MC4R P32245 1/20 0.58
FAP Q12884 1/20 0.58
DPP8 Q6V1X1 1/20 0.58
DPP9 Q86TI2 1/20 0.58
GHSR Q92847 1/20 0.58

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
SCHEMBL3337964 0.91 DPP4 (0.72) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13324938 0.88 DPP4 (0.62) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13324367 0.88 DPP4 (0.62) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13324725 0.86 DPP4 (0.62) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13438222 0.83 DPP4 (0.59) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13324742 0.83 DPP4 (0.69) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL2949897 0.83 DPP4 (0.83) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13324931 0.82 DPP4 (0.62) DPP4CHRM1POU2F2ADORA3POU2F1
SCHEMBL13771186 0.82 DPP4 (0.70) DPP4CHRM1
SCHEMBL13324354 0.82 DPP4 (0.65) DPP4CHRM1POU2F2ADORA3POU2F1

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-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US disclosed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP disclosed
US-7696212-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2010-04-13 US disclosed
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 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 (2 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-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 DPP4 1/4885CHRM1 907/4885POU2F2 2239/4885
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 DPP4 1/4885CHRM1 907/4885POU2F2 2239/4885

“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.