SCHEMBL6133673

SCHEMBL6133673

CC(C)n1nc(C(=CN(C)C)C(=O)c2ccccc2Cl)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.42
CYP11B2 P19099 6/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6134364 1.00 CYP11B1 (0.42) CYP11B1CYP11B2CES2CES1TP53
SCHEMBL6133458 0.88 CYP11B1 (0.40) CYP11B1CYP11B2CES2CES1LMNA
SCHEMBL6133456 0.88 CYP11B1 (0.40) CYP11B1CYP11B2CES2CES1LMNA
SCHEMBL6134014 0.85 CNR2 (0.35) CYP11B1CYP11B2LMNAALDH1A1
SCHEMBL6134296 0.85 LMNA (0.40) CES2CES1TP53LMNAPOLB
SCHEMBL6134293 0.85 LMNA (0.40) CES2CES1TP53LMNAPOLB
SCHEMBL6133324 0.81 POLB (0.43) CYP11B1CYP11B2POLBHTTALDH1A1
SCHEMBL6133325 0.81 POLB (0.43) CYP11B1CYP11B2POLBHTTALDH1A1
SCHEMBL6133711 0.78 CYP1A2 (0.35) CES2CES1LMNANPC1RAB9A
SCHEMBL6133710 0.78 CYP1A2 (0.35) CES2CES1LMNANPC1RAB9A

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 CYP11B1 808/4885CYP11B2 673/4885CES2 4034/4885

“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.