SCHEMBL6134239

SCHEMBL6134239

COc1ccc(C(=O)Nc2ncc(-c3ccc(=O)n(C(C)C)n3)c(-c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ADORA1 P30542 5/20 0.50
ADORA2A P29274 1/20 0.50
CDKN1A P38936 1/20 0.48
MAPT P10636 1/20 0.47
ADORA3 P0DMS8 8/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TMIGD3 P0DMS9 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6134310 0.92 GAA (0.45) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL6134129 0.90 ADORA2A (0.48) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL6134147 0.89 KDM4E (0.48) KDM4EALDH1A1ADORA1ADORA2AADORA3
SCHEMBL6135802 0.89 HTT (0.48) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL6133600 0.88 GRM5 (0.43) ADORA1ADORA2AADORA3
SCHEMBL6134405 0.86 KDM4E (0.40) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL6133862 0.85 LMNA (0.45) KDM4EALDH1A1ADORA3LMNATMIGD3
SCHEMBL6135302 0.84 ALDH1A1 (0.37) KDM4EALDH1A1ADORA1ADORA2AMAPT
SCHEMBL6133749 0.84 TP53 (0.44) KDM4EALDH1A1ADORA1ADORA3LMNA
SCHEMBL6134592 0.83 ADORA1 (0.47) ALDH1A1ADORA1ADORA2AMAPTADORA3

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 KDM4E 3364/4885ALDH1A1 801/4885ADORA1 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.