SCHEMBL6133398

SCHEMBL6133398

CNC(=O)COc1nc(N)nc(-c2ccccc2)c1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 4/20 0.37
ADORA2A P29274 5/20 0.36
ADORA1 P30542 5/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 3/20 0.36
ADCY10 Q96PN6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PRF1 P14222 1/20 0.34

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
SCHEMBL6133415 0.91 ALDH1A1 (0.39) ADORA2AADORA1TP53
SCHEMBL6133517 0.91 ADORA2A (0.38) ADORA2AADORA1TP53
SCHEMBL6134002 0.90 ADORA2A (0.37) ADORA2AADORA1TP53SMN1; SMN2
SCHEMBL6133319 0.89 ADORA2A (0.43) ADORA2AADORA1SMN1; SMN2
SCHEMBL6133311 0.88 ADORA2A (0.38) ADORA2AADORA1TP53
SCHEMBL6133849 0.87 ADORA2A (0.38) RECQLADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL6133677 0.86 ADORA2A (0.40) ADORA2AADORA1TP53
SCHEMBL6133772 0.86 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL6133969 0.84 MGMT (0.41) ADORA2AADORA1
SCHEMBL6134581 0.84 ADORA2A (0.40) 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 RECQL 45/4885HCRTR1 2971/4885HCRTR2 2585/4885

“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.