SCHEMBL6133388

SCHEMBL6133388

COc1ccc(-c2nc(N)ncc2-c2ccc(=O)n(C)n2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.57
ADORA2A P29274 3/20 0.46
PDE4A P27815 6/20 0.44
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
FGFR1 P11362 2/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
KMT2A Q03164 1/20 0.43
DHFR P00374 1/20 0.43
TDP2 O95551 1/20 0.42
KDM4E B2RXH2 1/20 0.40
FYN P06241 2/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL6134829 0.91 ADORA1 (0.46) ADORA1ADORA2AFGFR1FGFR2FGFR3
SCHEMBL6133497 0.86 ADORA1 (0.54) ADORA1ADORA2APDE4APDE4BPDE4C
SCHEMBL6133989 0.85 KMT2A (0.62) ADORA1ADORA2AKMT2AKDM4EMAPT
SCHEMBL6133447 0.84 ADORA2A (0.60) ADORA1ADORA2AFGFR1FGFR2FGFR3
SCHEMBL6134043 0.82 ADORA1 (0.53) ADORA1ADORA2AFGFR1FGFR2FGFR3
SCHEMBL6134495 0.82 ADORA2A (0.48) ADORA1ADORA2AFGFR1MAPTNPSR1
SCHEMBL6134037 0.82 RPS6KA3 (0.45) ADORA1ADORA2AKMT2AADORA2B
SCHEMBL6134537 0.82 RPS6KA3 (0.48) ADORA1ADORA2AKMT2AADORA2B
SCHEMBL6133620 0.82 ADORA1 (0.52) ADORA1ADORA2AKMT2AMAPTMAPK1
SCHEMBL6134360 0.81 LMNA (0.47) ADORA1ADORA2AKMT2AKDM4EADORA2B

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 ADORA1 3/4885ADORA2A 2/4885PDE4A 734/4885

“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.