SCHEMBL4050353

SCHEMBL4050353

N#Cc1cc(-c2ccncn2)c(-c2cccc(F)c2)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
PDE5A O76074 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4A P27815 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GRM5 P41594 1/20 0.40
GALR3 O60755 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SCN9A Q15858 1/20 0.38
EGFR P00533 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
SCHEMBL4049264 0.77 ADORA2B (0.51) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL10984156 0.75 PDE3A (0.67) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL4057421 0.75 GRM5 (0.41) KDM4EHPGDCYP2C19GRM5ALDH1A1
SCHEMBL14519517 0.72 EGFR (0.63) EGFRMAP4K4IDO1
SCHEMBL7665298 0.71 PDE3B (0.54) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL1445172 0.71 KMO (0.51) KDM4EGRM5MAP4K4CDC7MEN1
SCHEMBL2574104 0.70 NPSR1 (0.45) KDM4EHPGDGRM5ALDH1A1SCN9A
SCHEMBL7670220 0.68 MAPK14 (0.44) KDM4EHPGDLMNAGALR3ALDH1A1
SCHEMBL12427051 0.67 HPGD (0.69) PDE3BPDE3AKDM4EHPGDPDE5A
SCHEMBL10842808 0.67 PIK3CD (0.67) PDE3BPDE3AKDM4EHPGDPDE5A

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 5 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 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 PDE3B 450/4885PDE3A 507/4885KDM4E 4381/4885

“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.