SCHEMBL1489752

SCHEMBL1489752

CC(=O)Nc1cc(-n2cccn2)nc(C=Cc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.62
ADORA2A P29274 9/20 0.55
ADORA1 P30542 8/20 0.55
AURKA O14965 3/20 0.39
AURKB Q96GD4 3/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2B P29275 2/20 0.38
PLK4 O00444 2/20 0.38
ABL1 P00519 2/20 0.38
NTRK1 P04629 2/20 0.38
LCK P06239 2/20 0.38
CSF1R P07333 2/20 0.38
RET P07949 2/20 0.38
KIT P10721 2/20 0.38
FGFR1 P11362 2/20 0.38
SRC P12931 2/20 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
SCHEMBL1489750 1.00 ADORA3 (0.62) ADORA3ADORA2AADORA1AURKAAURKB
SCHEMBL8252447 0.89 ADORA3 (0.47) ADORA3ADORA2AADORA1AURKAAURKB
SCHEMBL1489923 0.83 ADORA2A (0.58) ADORA3ADORA2AADORA1ADORA2BPIK3CD
SCHEMBL1489464 0.76 ADORA2A (0.61) ADORA3ADORA2AADORA1ADORA2BPIK3CD
SCHEMBL4962778 0.76 KDM6B (0.36) ADORA3ADORA2AADORA1
SCHEMBL27661582 0.74 ADORA2A (0.67) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5016110 0.71 ADORA2A (0.64) ADORA3ADORA2AADORA1ADORA2BPIK3CA
SCHEMBL5017677 0.71 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5016105 0.71 ADORA2A (0.65) ADORA3ADORA2AADORA1MAPTHSD17B10
SCHEMBL1489954 0.67 ADORA2A (0.61) ADORA3ADORA2AADORA1ADORA2B

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-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 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-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 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.