SCHEMBL6134129

SCHEMBL6134129

Cc1ccc(C(=O)Nc2ncc(-c3ccc(=O)n(C(C)C)n3)c(-c3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RCE1 Q9Y256 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
GRM5 P41594 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
APEX1 P27695 1/20 0.41

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 0.94 GAA (0.45) ADORA2AADORA1HPGDMAPTKDM4E
SCHEMBL6134147 0.92 KDM4E (0.48) ADORA2AADORA1HPGDKDM4EGAA
SCHEMBL6135802 0.92 HTT (0.48) HPGDMAPTKDM4EGAAALDH1A1
SCHEMBL6134239 0.90 KDM4E (0.51) ADORA2AADORA1MAPTKDM4EALDH1A1
SCHEMBL6133600 0.90 GRM5 (0.43) ADORA2AADORA1GRM5ADORA3TP53
SCHEMBL6133862 0.87 LMNA (0.45) HPGDKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL6133749 0.86 TP53 (0.44) ADORA1HPGDKDM4EGAAALDH1A1
SCHEMBL6134592 0.85 ADORA1 (0.47) ADORA2AADORA1MAPTALDH1A1SMN1; SMN2
SCHEMBL6134405 0.85 KDM4E (0.40) ADORA2AADORA1HPGDMAPTKDM4E
SCHEMBL6135441 0.84 POLB (0.47) ADORA1SMN1; SMN2KMT2ANPC1RAB9A

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 3/4885HPGD 521/4885

“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.