SCHEMBL4049442

SCHEMBL4049442

Nc1cc(-c2ccncc2)c(-c2ccco2)nc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 2/20 0.54
PIK3CA P42336 2/20 0.54
ADORA2A P29274 7/20 0.49
ADORA2B P29275 7/20 0.49
ADORA1 P30542 7/20 0.49
ADORA3 P0DMS8 3/20 0.49
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMARCA2 P51531 1/20 0.43
PBRM1 Q86U86 1/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL3840501 0.83 PIK3R1 (0.49) PIK3R1PIK3CAADORA2AADORA2BADORA1
SCHEMBL4049097 0.81 ADORA2B (0.64) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4052079 0.81 PIK3R1 (0.47) PIK3R1PIK3CAADORA2AADORA2BADORA1
SCHEMBL3063477 0.80 MAPT (0.55) PIK3R1PIK3CAADORA2AADORA2BADORA1
SCHEMBL3786295 0.80 PTK2 (0.51) PIK3R1PIK3CAADORA2AADORA2BADORA1
SCHEMBL3796961 0.80 ADORA2B (0.47) ADORA2AADORA2BADORA1NPC1RAB9A
SCHEMBL28748444 0.79 ADORA2A (0.57) PIK3R1PIK3CAADORA2AADORA2BADORA1
SCHEMBL4049446 0.79 MEN1 (0.42) PIK3R1PIK3CAADORA2AADORA2BADORA1
SCHEMBL3792264 0.77 ADORA2A (0.46) PIK3R1PIK3CAADORA2AADORA2BADORA1
SCHEMBL5452133 0.77 ADORA1 (0.62) PIK3R1PIK3CAADORA2AADORA2BADORA1

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 1228/4885ADORA2A 2/4885

“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.