SCHEMBL994809

SCHEMBL994809

Nc1cc(-c2c(F)cnc(N)c2N)c(-c2ccccc2F)nc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.38
NPC1 O15118 1/20 0.37
DPP4 P27487 1/20 0.36
ADORA1 P30542 3/20 0.35
USP7 Q93009 1/20 0.35
ATR Q13535 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
MAP4K4 O95819 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
MPL P40238 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HTR5A P47898 1/20 0.34
TGFBR1 P36897 1/20 0.33
BACE1 P56817 1/20 0.33
CDC7 O00311 1/20 0.33

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
SCHEMBL995602 0.88 DPP4 (0.37) ADORA2ANPC1DPP4ADORA1USP7
SCHEMBL995482 0.85 ADORA2A (0.43) ADORA2ANPC1DPP4ADORA1MBNL1
SCHEMBL3789780 0.75 ATR (0.35) ATRMAP4K4
SCHEMBL3792248 0.75 ADORA2A (0.32) ADORA2AADORA1
SCHEMBL994808 0.74 KDM4E (0.43) ADORA2ADPP4ADORA1TGFBR1CDC7
SCHEMBL995612 0.72 MAPT (0.39) ADORA2ANPC1DPP4USP7ATR
SCHEMBL995601 0.71 IDO1 (0.38) ADORA2ADPP4ADORA1TGFBR1
SCHEMBL20569929 0.70 ADORA2A (0.55) ADORA2ANPC1DPP4ADORA1MBNL1
SCHEMBL995611 0.67 MAPT (0.39) ADORA2ANPC1DPP4ADORA1L3MBTL1
SCHEMBL15648676 0.66 ADORA2A (0.56) ADORA2ANPC1ADORA1ALOX5APFEN1

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 ADORA2A 2/4885NPC1 1004/4885DPP4 2022/4885

“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.