SCHEMBL4052237

SCHEMBL4052237

Nc1n[nH]c2nc(-c3cccc(F)c3)c(-c3ccncn3)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.44
ADORA2B P29275 7/20 0.44
ADORA1 P30542 7/20 0.44
ADORA3 P0DMS8 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
WNT1 P04628 3/20 0.39
FYN P06241 1/20 0.38
TGFBR1 P36897 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAP4K4 O95819 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4048469 0.81 ADORA2A (0.60) ADORA2AADORA2BADORA1ADORA3CCNT1
SCHEMBL5242020 0.77 ADORA1 (0.49) ADORA2AADORA2BADORA1CCNT1CCNA2
SCHEMBL4051589 0.77 ADORA2B (0.72) ADORA2AADORA2BADORA1ADORA3MAP4K4
SCHEMBL5451980 0.74 MAPK13 (0.42) CCNT1CCNA2CDK2CDK9MAP4K4
SCHEMBL2932287 0.72 MAPK14 (0.50)
SCHEMBL1445172 0.71 KMO (0.51) CDK2FYNMAP4K4KDM4EMEN1
SCHEMBL4057421 0.70 GRM5 (0.41) ADORA2AADORA2BADORA1ADORA3MAP4K4
SCHEMBL14519517 0.69 EGFR (0.63) ADORA2AADORA2BADORA1CDK2TGFBR1
SCHEMBL1386190 0.69 CCNT1 (0.44) ADORA2AADORA1CCNT1CCNA2CDK2
SCHEMBL7261268 0.69 GSK3A (0.54) ADORA2ACDK2TGFBR1MAP4K4KDM4E

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 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.