SCHEMBL638929

SCHEMBL638929

O=c1[nH]c(=O)n(C2CC2)c2nc[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.53
PDE4A P27815 4/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
PDE4D Q08499 4/20 0.53
ADORA2B P29275 4/20 0.52
ADORA3 P0DMS8 3/20 0.52
ADORA1 P30542 2/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
PDE3A Q14432 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PNP P00491 2/20 0.48
EEF2K O00418 1/20 0.45
MPO P05164 2/20 0.43
TPO P07202 2/20 0.43
ACHE P22303 1/20 0.39
GDA Q9Y2T3 1/20 0.39
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36

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
SCHEMBL5935784 0.94 ADORA3 (0.61) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10973378 0.94 ADORA3 (0.57) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL18127709 0.75 ADORA2B (0.50) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8991683 0.74 PDE4A (0.64) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10381289 0.73 PDE4A (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL237146 0.73 ADORA2A (0.64) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL864455 0.73 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL18112639 0.73 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5513199 0.73 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL28142117 0.73 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-02-12 US disclosed
EP-3424926-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINS, THEIR PRODUCTION AND UTILISATION AS MEDICINE Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2019-01-09 EP disclosed
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 US disclosed
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-17 US disclosed
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-03-01 US disclosed
CN-107674077-A 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2018-02-09 CN disclosed
CN-105001222-B 8 [base of 3 amino piperidine 1] Xanthine compounds, its preparation method and purposes as pharmaceutical preparation 勃林格殷格翰制药两合公司 2017-11-07 CN disclosed
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2017-03-23 US disclosed
US-9556175-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and thier use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-31 US disclosed
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2016-07-07 US disclosed
EP-0812844-B1 Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof HOECHST AG (DE) 2002-10-23 EP disclosed
EP-0771813-B1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AG (DE) 2002-01-16 EP disclosed
US-6214992-B1 THEOPHYLLINE DERIVATIVES HAVING AT LEAST ONE ETHER FUNCTION IN METHYL RADICAL; XANTHINE COMPOUNDS WITH THIS SUBSTITUTION PATTERN USED AS ANTISHOCK TREATMENT HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed
EP-0812844-A2 Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-17 EP disclosed
CN-1158855-A Alkylxanthine phosphonates and alkylxanthine phosphine oxides and their use as pharmacueticals HOECHST AG (DE) 1997-09-10 CN disclosed
EP-0771813-A1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed
EP-0430025-A2 Xanthine compound, method for preparing thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-06-05 EP disclosed
US-4548818-A Composition and methods for the treatment of chronic obstructive airway disease and cardiac disease using 3-alkylxanthines AKTEBOLAGET DRACO, A COMPANY OF SWEDEN (SE) 1985-10-22 US disclosed
EP-0010531-A1 3-Alkylxanthines, processes for their preparation and compositions for use in the treatment of chronic obstructive airway disease and cardiac disease Aktiebolaget DRACO (SE) 1980-04-30 EP 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 (6 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-10202383-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 ADORA2A 296/4885PDE4A 41/4885PDE4B 69/4885
US-20180057495-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 ADORA2A 296/4885PDE4A 41/4885PDE4B 69/4885
US-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 ADORA2A 296/4885PDE4A 41/4885PDE4B 69/4885
US-20170081329-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 ADORA2A 296/4885PDE4A 41/4885PDE4B 69/4885
US-20160194327-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 ADORA2A 296/4885PDE4A 41/4885PDE4B 69/4885
US-10023574-B2 8-[3-amino-piperidin-1-yl]-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP3 ADORA2A 296/4885PDE4A 41/4885PDE4B 69/4885

“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.