SCHEMBL2958488

SCHEMBL2958488

CCCc1nc2c([nH]1)c(=O)[nH]c(=O)n2CCC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.58
ADORA2B P29275 5/20 0.58
ADORA1 P30542 3/20 0.58
PDE4A P27815 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
ADORA3 P0DMS8 1/20 0.55
HPGD P15428 1/20 0.55
BLM P54132 1/20 0.55
PDE3A Q14432 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.52
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48

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
SCHEMBL9645577 0.91 ADORA2A (0.55) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL9645161 0.90 ADORA2A (0.54) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL4623457 0.89 ADORA2A (0.59) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL11017311 0.89 ADORA2A (0.51) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL3990423 0.89 ADORA1 (0.54) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL3848060 0.85 ADORA2A (0.57) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL11015546 0.84 ADORA2A (0.54) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL9645114 0.81 ADORA2A (0.49) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL4626790 0.81 ADORA2A (0.58) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL3180528 0.80 ADORA2A (0.59) ADORA2AADORA2BADORA1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO claimed
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
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 EP 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
US-4546182-A TREATMENT OF RESPIRATORY AND CARDIO-VASCULAR DISORDERS AKTIEBOLAGET DRACO (SE) 1985-10-08 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 (2 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 ADORA2A 90/4885ADORA2B 76/4885ADORA1 34/4885
US-20040106797-A1 Novel xanthines having adenosine A1-receptor antagonist properties ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA2B 4/4885ADORA1 1/4885

“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.