SCHEMBL995602

SCHEMBL995602

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
ADORA2A P29274 5/20 0.36
ADORA1 P30542 3/20 0.36
AURKA O14965 1/20 0.35
NPC1 O15118 1/20 0.35
USP7 Q93009 1/20 0.33
ATR Q13535 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MAP4K4 O95819 1/20 0.33
MBNL1 Q9NR56 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL994809 0.88 ADORA2A (0.38) DPP4ADORA2AADORA1NPC1USP7
SCHEMBL995482 0.79 ADORA2A (0.43) DPP4ADORA2AADORA1NPC1MAP4K4
SCHEMBL995601 0.76 IDO1 (0.38) DPP4ADORA2AADORA1ALDH1A1
SCHEMBL994808 0.71 KDM4E (0.43) DPP4ADORA2AADORA1ALDH1A1
SCHEMBL20569929 0.67 ADORA2A (0.55) DPP4ADORA2AADORA1NPC1MAP4K4
SCHEMBL30036735 0.66 RPS6KA5 (0.47) ADORA2AADORA1NPC1MBNL1
SCHEMBL25551811 0.66 RPS6KA5 (0.47) ADORA2AADORA1NPC1MBNL1
SCHEMBL994806 0.65 DHFR (0.38) DPP4ADORA2AADORA1ALOX5APFEN1
SCHEMBL3789780 0.65 ATR (0.35) ATRMAP4K4
SCHEMBL3792248 0.65 ADORA2A (0.32) ADORA2AADORA1

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 2 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

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 DPP4 2022/4885ADORA2A 2/4885ADORA1 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.