SCHEMBL2958489

SCHEMBL2958489

CCCc1nc2[nH]c(=O)n(CCC)c(=O)c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.58
ADORA2A P29274 4/20 0.58
ADORA3 P0DMS8 4/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ADORA1 P30542 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL5831429 0.90 ADORA2B (0.52) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL27206789 0.89 ADORA2B (0.59) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL8356656 0.88 ADORA2B (0.52) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL3848063 0.85 ADORA2B (0.60) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL27302135 0.81 ADORA2B (0.60) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL27713795 0.77 SIRT1 (0.68) ADORA2BADORA2AADORA1POLB
SCHEMBL9904030 0.77 ADORA2B (0.55) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL538419 0.76 ADORA2B (0.57) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL1892013 0.76 POLB (0.49) ADORA2BADORA2AADORA3PDE4APDE4B
SCHEMBL2958488 0.76 ADORA2A (0.58) ADORA2BADORA2AADORA3PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106797-A1 Novel xanthines having adenosine A1-receptor antagonist properties ARYX THERAPEUTICS 2004-06-03 US claimed
WO-2004009594-A2 XANTHINE DERIVATIVES HAVING ADENOSINE A1-RECEPTOR ANTAGONIST PROPERTIES ARYX THERAPEUTICS (US) 2004-01-29 WO claimed
WO-1999031101-A1 ADENOSINE RECEPTOR ANTAGONISTS WITH IMPROVED BIOACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 1999-06-24 WO claimed
US-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 US disclosed
US-11274158-B2 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using calcitonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-03-15 US disclosed
US-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2022-02-03 US disclosed
US-11208475-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using serotonin receptor activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-12-28 US disclosed
US-20210283217-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-16 US disclosed
US-11059886-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using GRM8 activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-07-13 US disclosed
US-20210177823-A1 NEUROMODULATING COMPOSITIONS AND RELATED THERAPEUTIC METHODS FOR THE TREATMENT OF CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-17 US disclosed
US-11034751-B1 Methods and compositions for treating cancer using serotonin receptor inhibitors FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-06-15 US disclosed
US-20070207979-A1 Method of using adenosine receptor blockers during tissue ablation SHERWOOD SERVICES AG 2007-09-06 US disclosed
CN-1684686-A Cystic fibrosis transmembrane conductance regulator protein inhibitors and uses thereof UNIV CALIFORNIA (US) 2005-10-19 CN disclosed
US-6545002-B1 Treating asthma, diarrhea, insulin resistance, diabetes, ischemia/reprefusion injuries, diabetic retinopathy or hyperbaric oxygen-induced retinopathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2003-04-08 US disclosed
EP-1051192-A2 METHODS FOR THE PREVENTION AND TREATMENT OF FIBROSIS AND SCLEROSIS Link Technology, Inc. (US) 2000-11-15 EP disclosed
WO-1999038532-A2 METHODS FOR THE PREVENTION AND TREATMENT OF FIBROSIS AND SCLEROSIS LINK TECHNOLOGY, INC. (US) 1999-08-05 WO disclosed
WO-1999031101-A1 ADENOSINE RECEPTOR ANTAGONISTS WITH IMPROVED BIOACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 1999-06-24 WO disclosed
EP-0619316-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1998-08-12 EP disclosed
EP-0619316-A1 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-10-12 EP disclosed
WO-1993021949-A1 IMMUNOLOGICAL DETECTION AND QUANTIFICATION OF 8-(CYCLOALKYL OR AROMATIC) SUBSTITUTED-1,3-DIPROPYLXANTHINES VANDERBILT UNIVERSITY (US) 1993-11-11 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 (3 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-20220033490-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING CHRNA6 INHIBITORS CHRNA6, CHRNA1, CHRNB1 ADORA2B 76/4885ADORA2A 90/4885ADORA3 31/4885
US-20070207979-A1 Method of using adenosine receptor blockers during tissue ablation ADORA2A, ADORA2B, ADORA3 ADORA2B 2/4885ADORA2A 1/4885ADORA3 3/4885
US-20040106797-A1 Novel xanthines having adenosine A1-receptor antagonist properties ADORA1, ADORA2A, ADORA3 ADORA2B 4/4885ADORA2A 2/4885ADORA3 3/4885

“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.