SCHEMBL556239

SCHEMBL556239

CCOC(=O)c1c(NC(=O)Nc2ccccc2)nc(N2CCCC(NC(=O)OC(C)(C)C)C2)n1CC=C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.41
DPP4 P27487 11/20 0.41
USP30 Q70CQ3 1/20 0.40
JAK3 P52333 2/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
MAP4K4 O95819 2/20 0.39
PDE10A Q9Y233 1/20 0.39
CNR1 P21554 1/20 0.37

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
SCHEMBL556783 0.91 DPP4 (0.40) BTKDPP4USP30JAK3MAP4K4
SCHEMBL554830 0.90 BTK (0.40) BTKDPP4JAK3EGFRLCK
SCHEMBL556491 0.89 BTK (0.40) BTKDPP4JAK3EGFRLCK
SCHEMBL556933 0.89 BTK (0.40) BTKDPP4JAK3EGFRLCK
SCHEMBL3971382 0.89 BTK (0.41) BTKDPP4JAK3EGFRLCK
SCHEMBL556256 0.89 BTK (0.41) BTKDPP4JAK3EGFRLCK
SCHEMBL3977507 0.85 BTK (0.43) BTKDPP4JAK3EGFRLCK
SCHEMBL5435581 0.84 BTK (0.42) BTKDPP4JAK3EGFRLCK
SCHEMBL556164 0.83 MAP4K4 (0.46) BTKDPP4JAK3EGFRLCK
SCHEMBL5437210 0.83 MAP4K4 (0.46) BTKDPP4JAK3EGFRLCK

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 25 patents — showing the first 20. 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
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP 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
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 EP 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
EP-1953162-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-06-20 EP 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-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2011-06-16 US disclosed
EP-1953162-A1 Xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
EP-1757606-A1 Xanthinderivatives, preparation thereof and their use as medical agents Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-02-28 EP disclosed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP 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
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP 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
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 WO 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 (12 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-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3376/4885DPP4 1/4885USP30 2196/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3419/4885DPP4 1/4885USP30 2578/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BTK 3411/4885DPP4 1/4885USP30 2353/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3376/4885DPP4 1/4885USP30 2196/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3411/4885DPP4 1/4885USP30 2353/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 BTK 3411/4885DPP4 1/4885USP30 2353/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BTK 3411/4885DPP4 1/4885USP30 2353/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 BTK 3411/4885DPP4 1/4885USP30 2353/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BTK 3376/4885DPP4 1/4885USP30 2196/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3419/4885DPP4 1/4885USP30 2578/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BTK 3376/4885DPP4 1/4885USP30 2196/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 BTK 2285/4885DPP4 1/4885USP30 2621/4885

“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.