SCHEMBL4059248

SCHEMBL4059248

Cc1noc2nc(CC(C)C)n(Cc3cccc(F)c3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A6 Q9BXS9 1/20 0.43
BRD4 O60885 1/20 0.42
ALOX5AP P20292 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE1A P54750 1/20 0.38

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
SCHEMBL5237790 0.90 SLC26A6 (0.41) SLC26A6BRD4ALOX5APSMN1; SMN2MAPT
SCHEMBL5234446 0.90 BRD4 (0.42) SLC26A6BRD4ALOX5APSMN1; SMN2MAPT
SCHEMBL4043063 0.87 SMN1; SMN2 (0.44) SLC26A6ALOX5APSMN1; SMN2ALDH1A1HPGD
SCHEMBL3901729 0.87 SMN1; SMN2 (0.48) SLC26A6SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL4060901 0.82 KIF11 (0.42) SLC26A6BRD4ALOX5APMAPTALDH1A1
SCHEMBL4058305 0.82 KIF11 (0.44) SLC26A6BRD4ALOX5APMAPTALDH1A1
SCHEMBL4066139 0.80 MAPT (0.43) ALOX5APMAPTALDH1A1HPGDRXFP1
SCHEMBL5233038 0.78 SLC26A6 (0.39) SLC26A6BRD4SMN1; SMN2MAPTALDH1A1
SCHEMBL3958081 0.77 KIF11 (0.55) KIF11
SCHEMBL6208130 0.77 KIF11 (0.48) SLC26A6BRD4SMN1; SMN2MAPTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1781673-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF AstraZeneca AB (SE) 2007-05-09 EP disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 US disclosed
US-20060041128-A1 Selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 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 (4 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-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof SDHA, CYP11B2, NQO1 SLC26A6 3572/4885BRD4 607/4885ALOX5AP 1947/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 SLC26A6 4583/4885BRD4 245/4885ALOX5AP 4215/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 SLC26A6 4583/4885BRD4 245/4885ALOX5AP 4215/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 SLC26A6 3572/4885BRD4 607/4885ALOX5AP 1947/4885

“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.