SCHEMBL556208

SCHEMBL556208

CN(C)c1cccc(C(=O)CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GSK3B P49841 3/20 0.52
PTPN1 P18031 2/20 0.52
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 1/20 0.47
TSHR P16473 1/20 0.46
USP2 O75604 1/20 0.45
RAF1 P04049 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL10504537 0.85 GSK3B (0.47) KMT2AL3MBTL1GSK3BPTPN1LMNA
SCHEMBL11108445 0.84 KMT2A (0.58) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL941088 0.84 KMT2A (0.54) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL338575 0.82 KMT2A (0.53) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL6496987 0.82 KMT2A (0.53) KMT2AL3MBTL1GSK3BLMNAPOLB
Hydrochloric Acid SCHEMBL7312871 0.82 KMT2A (0.53) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL5740022 0.81 KDM4E (0.52) KMT2AL3MBTL1PTPN1LMNAPOLB
SCHEMBL1983267 0.81 L3MBTL1 (0.51) KMT2AL3MBTL1LMNAPOLBKDM4E
SCHEMBL9409741 0.80 GSK3B (0.70) KMT2AL3MBTL1GSK3BPTPN1KDM4E
SCHEMBL702196 0.79 PTPN1 (0.62) GSK3BPTPN1KDM4EALDH1A1HSD17B10

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 29 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-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-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & 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
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
US-5300527-A Administering anticholinergic agents for treating the memory dysfunction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-05 US disclosed
US-5177111-A Analgesic HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-01-05 US disclosed
EP-0432719-A1 Alkylamino- and alkylaminoalkyl diarylketones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-06-19 EP disclosed
US-5006563-A Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-04-09 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 (11 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 KMT2A 3475/4885L3MBTL1 2559/4885GSK3B 206/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 3433/4885L3MBTL1 2278/4885GSK3B 182/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 KMT2A 3439/4885L3MBTL1 2284/4885GSK3B 243/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 3475/4885L3MBTL1 2559/4885GSK3B 206/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 3439/4885L3MBTL1 2284/4885GSK3B 243/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 KMT2A 3439/4885L3MBTL1 2284/4885GSK3B 243/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 KMT2A 3439/4885L3MBTL1 2284/4885GSK3B 243/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 KMT2A 3475/4885L3MBTL1 2559/4885GSK3B 206/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 3433/4885L3MBTL1 2278/4885GSK3B 182/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 3475/4885L3MBTL1 2559/4885GSK3B 206/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 KMT2A 3251/4885L3MBTL1 857/4885GSK3B 201/4885

“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.