SCHEMBL555995

SCHEMBL555995

CC(C)=CCn1c(N(C)C(N)C2CC2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.52
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL27600209 0.84 DPP4 (0.50) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL555265 0.84 DPP4 (0.50) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL557400 0.82 DPP4 (0.50) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL555174 0.82 DPP4 (0.50) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL555973 0.82 DPP4 (0.50) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL554816 0.81 DPP4 (0.51) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL556034 0.81 DPP4 (0.51) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL554815 0.81 DPP4 (0.51) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL555426 0.80 DPP4 (0.57) DPP4MAPK1KMT2ALMNAL3MBTL1
SCHEMBL555247 0.79 DPP4 (0.56) DPP4MAPK1KMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 US disclosed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 US disclosed
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-10-04 US disclosed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 US disclosed
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-02-16 US disclosed
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-02-09 US disclosed
US-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 US disclosed
US-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2011-06-16 US disclosed
US-20100204250-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2010-08-12 US disclosed
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 US disclosed
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS HIMMELSBACH FRANK 2006-11-02 US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 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 (15 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-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 2427/4885KMT2A 3439/4885
US-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 3036/4885KMT2A 3475/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 1255/4885KMT2A 3433/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 2427/4885KMT2A 3439/4885
US-20100204250-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 3036/4885KMT2A 3475/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 3036/4885KMT2A 3475/4885
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 2427/4885KMT2A 3439/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 2427/4885KMT2A 3439/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 2427/4885KMT2A 3439/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 2427/4885KMT2A 3439/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 2427/4885KMT2A 3439/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 3036/4885KMT2A 3475/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 1255/4885KMT2A 3433/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 3036/4885KMT2A 3475/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 DPP4 1/4885MAPK1 2169/4885KMT2A 3251/4885

“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.