SCHEMBL6133319

SCHEMBL6133319

CC(C)n1nc(-c2c(OCC(=O)NC3CC3)nc(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
PIN1 Q13526 2/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LDHA P00338 1/20 0.35

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
SCHEMBL6133398 0.89 RECQL (0.39) ADORA2AADORA1SMN1; SMN2
SCHEMBL6133517 0.87 ADORA2A (0.38) ADORA2AADORA1HTT
SCHEMBL6133415 0.87 ALDH1A1 (0.39) ADORA2AADORA1
SCHEMBL6134002 0.86 ADORA2A (0.37) ADORA2AADORA1SMN1; SMN2
SCHEMBL6133311 0.84 ADORA2A (0.38) ADORA2AADORA1HPGDL3MBTL1
SCHEMBL6133849 0.84 ADORA2A (0.38) ADORA2AADORA1HPGDRAB9ASMN1; SMN2
SCHEMBL6133677 0.82 ADORA2A (0.40) ADORA2AADORA1LMNA
SCHEMBL6133772 0.82 ADORA2A (0.40) ADORA2AADORA1MAPK1RAB9AL3MBTL1
SCHEMBL6135151 0.80 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL6133969 0.80 MGMT (0.41) ADORA2AADORA1LMNACCNA2CDK2

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 3/4885MAPK1 3570/4885

“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.