SCHEMBL6134405

SCHEMBL6134405

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
ADORA1 P30542 2/20 0.39
MERTK Q12866 1/20 0.39
POLB P06746 1/20 0.38
ALOX5 P09917 1/20 0.38
AURKA O14965 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
PLK1 P53350 1/20 0.36
CCNA1 P78396 1/20 0.36
TSHR P16473 1/20 0.36
JAK2 O60674 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 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
SCHEMBL6133749 0.90 TP53 (0.44) KDM4EALDH1A1HPGDTP53ADORA1
SCHEMBL6134592 0.89 ADORA1 (0.47) ALDH1A1TP53ADORA1MERTKPOLB
SCHEMBL6134956 0.89 ADORA1 (0.43) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL6134310 0.88 GAA (0.45) KDM4EALDH1A1HPGDTP53ADORA1
SCHEMBL6134319 0.87 ADORA1 (0.39) KDM4ETP53ADORA1MERTKPOLB
SCHEMBL6135441 0.87 POLB (0.47) TP53ADORA1MERTKPOLBAURKA
SCHEMBL6134588 0.86 ADORA1 (0.48) KDM4EALDH1A1HSD17B10TP53ADORA1
SCHEMBL6134239 0.86 KDM4E (0.51) KDM4EALDH1A1ADORA1LMNAMAPT
SCHEMBL6133427 0.85 LMNA (0.46) ADORA1JAK2LMNAADORA2A
SCHEMBL6134095 0.85 ADORA1 (0.57) KDM4EALDH1A1HPGDHSD17B10TP53

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 801/4885HPGD 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.