SCHEMBL4049255

SCHEMBL4049255

c1coc(-c2nc3[nH]ncc3cc2-c2ccnc(NC3CC3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.64
ADORA2B P29275 2/20 0.64
ADORA1 P30542 2/20 0.64
PRKAB2 O43741 3/20 0.52
PRKAG1 P54619 3/20 0.52
PRKAA2 P54646 3/20 0.52
PRKAA1 Q13131 3/20 0.52
PRKAG3 Q9UGI9 3/20 0.52
PRKAG2 Q9UGJ0 3/20 0.52
PRKAB1 Q9Y478 3/20 0.52
CDK2 P24941 7/20 0.50
CDK4 P11802 6/20 0.50
CDK1 P06493 5/20 0.50
CCNB1 P14635 5/20 0.50
CCNA2 P20248 5/20 0.50
CCND1 P24385 5/20 0.50
CCNA1 P78396 5/20 0.50
MAPK8 P45983 9/20 0.49
MAPK9 P45984 9/20 0.49
MAPK10 P53779 9/20 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
SCHEMBL4057399 0.82 ADORA2A (0.65) ADORA2AADORA2BADORA1CDK2CDK4
SCHEMBL4050026 0.78 ADORA2B (0.59) ADORA2AADORA2BADORA1PRKAB2PRKAG1
SCHEMBL4048696 0.78 ADORA2B (1.00) ADORA2AADORA2BADORA1
SCHEMBL21621270 0.78 PRKAA1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4051221 0.78 ADORA2B (0.67) ADORA2AADORA2BADORA1
SCHEMBL4054613 0.78 ADORA2B (0.67) ADORA2AADORA2BADORA1CDK2CCNA2
SCHEMBL4056111 0.76 ADORA2B (0.65) ADORA2AADORA2BADORA1
SCHEMBL4056139 0.76 ADORA2B (0.65) ADORA2AADORA2BADORA1
SCHEMBL4052502 0.75 ADORA2B (0.64) ADORA2AADORA2BADORA1
SCHEMBL21621269 0.69 PRKAB2 (0.60) ADORA2AADORA2BADORA1PRKAB2PRKAG1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1942469-B Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB 2010-07-07 CN claimed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US claimed
CN-1942469-A Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB (ES) 2007-04-04 CN claimed
CN-1942469-B Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB 2010-07-07 CN disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
CN-1942469-A Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB (ES) 2007-04-04 CN disclosed
EP-1735310-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-12-27 EP disclosed
WO-2005100353-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA, SA (ES) 2005-10-27 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 (1 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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 1/4885ADORA1 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.