SCHEMBL6134468

SCHEMBL6134468

CC(C)n1nc(-c2cnc(N)nc2-c2ccccc2F)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.37
KDM5B Q9UGL1 2/20 0.36
ADORA1 P30542 7/20 0.36
MET P08581 1/20 0.35
ADORA2B P29275 2/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
AURKA O14965 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
NTRK1 P04629 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
SCHEMBL6133980 0.89 ADORA1 (0.35) ADORA2AADORA1ADORA2BMAPTHDAC1
SCHEMBL6134252 0.88 ADORA2A (0.38) ADORA2AADORA1ADORA2B
SCHEMBL6133826 0.87 CLK1 (0.36) ADORA2AADORA1ADORA2BMAPT
SCHEMBL6134855 0.87 KDM5B (0.36) ADORA2AKDM5BADORA1ADORA2B
SCHEMBL6134078 0.87 GFER (0.41) ADORA2AADORA1MAPT
SCHEMBL6134941 0.86 CDC7 (0.38) ADORA2AADORA1ADORA2BCDC7DBF4
SCHEMBL6134324 0.85 ADORA1 (0.47) ADORA2AADORA1ADORA2B
SCHEMBL6133855 0.85 ADORA2A (0.48) ADORA2AADORA1MAPTHDAC1
SCHEMBL6135805 0.84 ADORA1 (0.37) ADORA2AADORA1ADORA2BMAPT
SCHEMBL6133788 0.83 ADORA1 (0.39) ADORA2AADORA1METADORA2B

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 2/4885KDM5B 2880/4885ADORA1 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.