SCHEMBL994808

SCHEMBL994808

Nc1cc(-c2ccncc2F)c(-c2ccccc2F)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 3/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
NUDT1 P36639 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
CDC7 O00311 1/20 0.38
PIM3 Q86V86 5/20 0.38
PIM2 Q9P1W9 5/20 0.38

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
SCHEMBL995601 0.88 IDO1 (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3791196 0.83 GAA (0.41) GAAADORA2AADORA2BNUDT1CDC7
SCHEMBL3789853 0.83 ADORA2B (0.40) ADORA2AADORA2BADORA1NUDT1GABRA1
SCHEMBL995482 0.83 ADORA2A (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3794193 0.82 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL996390 0.81 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL18039117 0.78 NUDT1 (0.43) GAAADORA2AADORA2BADORA1NUDT1
SCHEMBL3789774 0.77 ADORA2B (0.44) ADORA2AADORA2BADORA1NUDT1CDC7
SCHEMBL3792241 0.76 ADORA2A (0.46) ADORA2AADORA2BADORA1NUDT1GABRA1
SCHEMBL13149262 0.75 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125804-B1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-01-26 EP disclosed
US-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-04-29 US disclosed
EP-2125804-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZOÝ4,5-B¨PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS Almirall, S.A. (ES) 2009-12-02 EP disclosed
WO-2008080461-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-10 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-20100105723-A1 5-PHENYL-6-PYRIDIN-4-YL-1,3-DIHYDRO-2H-IMIDAZO[4,5-b]PYRIDIN-2-ONE DERIVATIVES USEFUL AS A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 KDM4E 3314/4885ALDH1A1 533/4885GLA 3873/4885

“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.