SCHEMBL17036591

SCHEMBL17036591

CC#CCn1c(C)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.72
FAP Q12884 9/20 0.72
CHRM1 P11229 2/20 0.67
POU2F2 P09086 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
POU2F1 P14859 1/20 0.67
CHRM3 P20309 1/20 0.67
HRH2 P25021 1/20 0.67
MC4R P32245 1/20 0.67
DPP8 Q6V1X1 1/20 0.67
DPP9 Q86TI2 1/20 0.67
GHSR Q92847 1/20 0.67
KCNH2 Q12809 2/20 0.56

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
SCHEMBL29350672 0.90 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL18344002 0.90 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL3919837 0.90 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL12862005 0.90 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL18343936 0.90 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL16416909 0.89 DPP4 (0.68) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL29456463 0.86 DPP4 (0.64) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL20296912 0.86 DPP4 (0.64) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL15083818 0.86 DPP4 (0.85) DPP4FAPCHRM1POU2F2ADORA3
SCHEMBL15840849 0.85 DPP4 (0.70) DPP4FAPCHRM1POU2F2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179207-A1 PROCESS FOR THE PREPARATION OF A XANTHINE-BASED COMPOUND BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-28 US disclosed
US-9593119-B2 Process for the preparation of dipeptidylpeptidase inhibitors GLENMARK PHARMACEUTICALS LIMITED (IN) 2017-03-14 US disclosed
US-9522915-B2 Method for preparing an important intermediate of linagliptin 2Y-CHEM, LTD. (CN) 2016-12-20 US disclosed
US-20160272642-A1 PROCESS FOR THE PREPARATION OF DIPEPTIDYLPEPTIDASE INHIBITORS GLENMARK LIFE SCIENCES LIMITED (IN) 2016-09-22 US disclosed
US-9353114-B2 Process for the preparation of dipeptidylpeptidase inhibitors GLENMARK PHARMACEUTICALS LIMITED (IN) 2016-05-31 US disclosed
US-20150274728-A1 METHOD FOR PREPARING AN IMPORTANT INTERMEDIATE OF LINAGLIPTIN 2Y-CHEM, LTD. (CN) 2015-10-01 US disclosed
US-20150239887-A1 PROCESS FOR THE PREPARATION OF DIPEPTIDYLPEPTIDASE INHIBITORS GLENMARK GENERICS LIMITED (IN) 2015-08-27 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 (4 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-20150239887-A1 PROCESS FOR THE PREPARATION OF DIPEPTIDYLPEPTIDASE INHIBITORS DPP4, DPP9, DPP3 DPP4 1/4885FAP 13/4885CHRM1 3511/4885
US-20160272642-A1 PROCESS FOR THE PREPARATION OF DIPEPTIDYLPEPTIDASE INHIBITORS DPP9, DPP4, DPP7 DPP4 2/4885FAP 19/4885CHRM1 3590/4885
US-20180179207-A1 PROCESS FOR THE PREPARATION OF A XANTHINE-BASED COMPOUND XDH, HPRT1, NUDT1 DPP4 363/4885FAP 1240/4885CHRM1 1860/4885
US-20150274728-A1 METHOD FOR PREPARING AN IMPORTANT INTERMEDIATE OF LINAGLIPTIN DPP4, DPP9, DPP3 DPP4 1/4885FAP 19/4885CHRM1 4661/4885

“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.