SCHEMBL6133628

SCHEMBL6133628

CC(C)n1nc(-c2cnc(N)nc2-c2cccc(OCCN(C)C)c2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.47
ADORA1 P30542 7/20 0.47
TRPV1 Q8NER1 1/20 0.41
USP1 O94782 2/20 0.40
MAOB P27338 1/20 0.39
MET P08581 4/20 0.39
TNK2 Q07912 1/20 0.39
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PKN2 Q16513 1/20 0.38
PIM3 Q86V86 1/20 0.38
BRSK1 Q8TDC3 1/20 0.38
AURKB Q96GD4 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
STK17A Q9UEE5 1/20 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
SCHEMBL6133797 0.90 ADORA1 (0.43) ADORA2AADORA1
SCHEMBL6133860 0.89 ADORA1 (0.42) ADORA2AADORA1
SCHEMBL6135205 0.89 ADORA1 (0.44) ADORA2AADORA1MET
SCHEMBL6134416 0.89 ADORA1 (0.42) ADORA2AADORA1
SCHEMBL6133991 0.89 SRC (0.43) ADORA2AADORA1
SCHEMBL6133584 0.89 ADORA2A (0.46) ADORA2AADORA1USP1TNK2
SCHEMBL6133501 0.89 ADORA1 (0.41) ADORA2AADORA1
SCHEMBL6135106 0.88 LMNA (0.45) ADORA2AADORA1
SCHEMBL6133616 0.88 DHFR (0.43) ADORA2AADORA1
SCHEMBL6133511 0.87 ADORA1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA1 3/4885TRPV1 2382/4885

“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.