SCHEMBL1389167

SCHEMBL1389167

CCN(CC)c1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 0.80
ADORA2A P29274 19/20 0.80
ADORA1 P30542 14/20 0.80
ADORA2B P29275 12/20 0.80

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
Hydrochloric Acid SCHEMBL4758022 0.99 ADORA3 (0.79) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1389186 0.92 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2B
Hydrochloric Acid SCHEMBL4759229 0.91 ADORA3 (0.81) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13745468 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL20694141 0.88 ADORA3 (0.85) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1389221 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL15124919 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2283773 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
Hydrochloric Acid SCHEMBL4820060 0.86 ADORA3 (0.98) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL14466107 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011528363-A 2011-11-17 JP claimed
US-20110190324-A1 METHODS OF TREATING ATHEROSCLEROSIS MCNC ENTERPRISE FUND, L.P. 2011-08-04 US claimed
EP-2300496-A1 METHODS OF TREATING ATHEROSCLEROSIS King Pharmaceuticals Research and Development Inc. (US) 2011-03-30 EP claimed
WO-2010009190-A1 METHODS OF TREATING ATHEROSCLEROSIS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-21 WO claimed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US claimed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US claimed
US-20110190324-A1 METHODS OF TREATING ATHEROSCLEROSIS MCNC ENTERPRISE FUND, L.P. 2011-08-04 US disclosed
US-20110190324-A1 METHODS OF TREATING ATHEROSCLEROSIS MCNC ENTERPRISE FUND, L.P. 2011-08-04 US disclosed
US-20110190324-A1 METHODS OF TREATING ATHEROSCLEROSIS MCNC ENTERPRISE FUND, L.P. 2011-08-04 US disclosed
EP-2300496-A1 METHODS OF TREATING ATHEROSCLEROSIS King Pharmaceuticals Research and Development Inc. (US) 2011-03-30 EP disclosed
WO-2010009190-A1 METHODS OF TREATING ATHEROSCLEROSIS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-21 WO disclosed
WO-2010009190-A1 METHODS OF TREATING ATHEROSCLEROSIS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-21 WO disclosed
US-20090203719-A1 ENHANCING TREATMENT OF MDR CANCER WITH ADENOSINE A3 ANTAGONISTS BOREA PIER ANDREA 2009-08-13 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
WO-2007040565-A9 ENHANCING TREATMENT OF CANCER AND HIF-1 MEDIATED DISODERS WITH ADENOSINE A3 RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2007-07-05 WO disclosed
WO-2007040565-A9 ENHANCING TREATMENT OF CANCER AND HIF-1 MEDIATED DISODERS WITH ADENOSINE A3 RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2007-07-05 WO disclosed
WO-2007040565-A2 ENHANCING TREATMENT OF CANCER AND HIF-1 MEDIATED DISODERS WITH ADENOSINE A3 RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2007-04-12 WO disclosed
US-20060204502-A1 Enhancing treatment of cancer and HIF-1 mediated disorders with adenosine A3 receptor antagonists CREDIT SUISSE AG 2006-09-14 US disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 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 (5 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-20110190324-A1 METHODS OF TREATING ATHEROSCLEROSIS ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20060204502-A1 Enhancing treatment of cancer and HIF-1 mediated disorders with adenosine A3 receptor antagonists HIF1A, HIF1AN, ADORA3 ADORA3 3/4885ADORA2A 4/4885ADORA1 5/4885
US-20090203719-A1 ENHANCING TREATMENT OF MDR CANCER WITH ADENOSINE A3 ANTAGONISTS ADORA3, ADORA2A, ABCB1 ADORA3 1/4885ADORA2A 2/4885ADORA1 5/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 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.