SCHEMBL6133749

SCHEMBL6133749

CC(=O)Nc1ncc(-c2ccc(=O)n(C(C)C)n2)c(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
ADORA2B P29275 1/20 0.42
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
MAPK14 Q16539 1/20 0.40
MERTK Q12866 1/20 0.40
AURKA O14965 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
PLK1 P53350 1/20 0.39
CCNA1 P78396 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
NR4A2 P43354 1/20 0.38
ATR Q13535 1/20 0.37

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
SCHEMBL6134592 0.91 ADORA1 (0.47) TP53ADORA1ADORA3MERTKAURKA
SCHEMBL6134405 0.90 KDM4E (0.40) TP53ADORA1MERTKAURKACCNA2
SCHEMBL6134310 0.90 GAA (0.45) TP53ADORA1ADORA3MERTKAURKA
SCHEMBL6135441 0.89 POLB (0.47) TP53ADORA1MERTKAURKACCNA2
SCHEMBL6134588 0.88 ADORA1 (0.48) TP53ADORA1ADORA3MERTKPOLB
SCHEMBL6134095 0.87 ADORA1 (0.57) TP53ADORA2BADORA1ADORA3MERTK
SCHEMBL6133427 0.87 LMNA (0.46) ADORA1ADORA3LMNA
SCHEMBL6135183 0.87 MERTK (0.42) TP53ADORA1MERTKPOLBKDM4E
SCHEMBL6134129 0.86 ADORA2A (0.48) TP53ADORA1ADORA3ALDH1A1LMNA
SCHEMBL6134956 0.86 ADORA1 (0.43) TP53ADORA1MERTKPOLBALDH1A1

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 TP53 2834/4885ADORA2B 1/4885ADORA1 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.