SCHEMBL4059109

SCHEMBL4059109

c1coc(-c2nc3[nH]cnc3cc2-c2ccncc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 5/20 0.55
PIK3CA P42336 5/20 0.55
ADORA1 P30542 12/20 0.49
ADORA2A P29274 11/20 0.49
ADORA2B P29275 10/20 0.49
ADORA3 P0DMS8 4/20 0.47
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4049284 0.84 ADORA2B (0.70) ADORA1ADORA2AADORA2BADORA3
SCHEMBL3796976 0.82 PTK2 (0.45) PIK3R1PIK3CAADORA1ADORA2AADORA2B
SCHEMBL3786729 0.81 ADORA2A (0.46) PIK3R1PIK3CAADORA1ADORA2AADORA2B
SCHEMBL4051487 0.79 PIK3R1 (0.54) PIK3R1PIK3CAADORA1ADORA2AADORA2B
SCHEMBL3074216 0.77 ADORA1 (0.50) PIK3R1PIK3CAADORA1ADORA2AADORA2B
SCHEMBL4049370 0.77 ADORA2B (0.47) PIK3R1PIK3CAADORA1ADORA2AADORA2B
SCHEMBL4051165 0.75 PIK3R1 (0.50) PIK3R1PIK3CAADORA1ADORA2AADORA2B
SCHEMBL4059301 0.75 ADORA3 (0.49) PIK3CAADORA1ADORA2AADORA2BADORA3
SCHEMBL3059053 0.73 PIK3R1 (0.52) PIK3R1PIK3CAADORA1ADORA2AADORA2B
SCHEMBL11368582 0.73 PDE3B (0.55) PIK3CACDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US claimed
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
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 PIK3R1 1835/4885PIK3CA 1228/4885ADORA1 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.