SCHEMBL6133325

SCHEMBL6133325

CC(C)n1nc(C(=CN(C)C)C(=O)c2cccc(Cl)c2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 3/20 0.35
CHRNA1 P02708 2/20 0.35
CHRNG P07510 2/20 0.35
CHRNB1 P11230 2/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
SLC6A4 P31645 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRND Q07001 2/20 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
SCHEMBL6133324 1.00 POLB (0.43) POLBCYP11B1CYP11B2MAPTHPGD
SCHEMBL6134547 0.87 CES2 (0.40) MAPTHPGDALDH1A1SLC6A2CHRNB2
SCHEMBL6134543 0.87 CES2 (0.40) MAPTHPGDALDH1A1SLC6A2CHRNB2
SCHEMBL6134293 0.87 LMNA (0.40) POLBMAPTHPGDALDH1A1KMT2A
SCHEMBL6134296 0.87 LMNA (0.40) POLBMAPTHPGDALDH1A1KMT2A
SCHEMBL6135116 0.85 CES2 (0.43) MAPTALDH1A1GAAKMT2A
SCHEMBL6135115 0.85 CES2 (0.43) MAPTALDH1A1GAAKMT2A
SCHEMBL6133673 0.81 CYP11B1 (0.42) POLBCYP11B1CYP11B2ALDH1A1HTT
SCHEMBL6134364 0.81 CYP11B1 (0.42) POLBCYP11B1CYP11B2ALDH1A1HTT
SCHEMBL6133711 0.80 CYP1A2 (0.35) MAPTALDH1A1GAAKMT2APKM

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 2 patents. 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
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO 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 POLB 565/4885CYP11B1 808/4885CYP11B2 673/4885

“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.