SCHEMBL3868907

SCHEMBL3868907

Cc1nsc(NC(=O)CC(C)C)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
AIP O00170 1/20 0.41
SGTA O43765 1/20 0.41
TOMM70 O94826 1/20 0.41
STIP1 P31948 1/20 0.41
PPP5C P53041 1/20 0.41
FKBP4 Q02790 1/20 0.41
PPID Q08752 1/20 0.41
FKBP5 Q13451 1/20 0.41
FKBP8 Q14318 1/20 0.41
TOMM34 Q15785 1/20 0.41
DNAJC7 Q99615 1/20 0.41
AIPL1 Q9NZN9 1/20 0.41
STUB1 Q9UNE7 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL3869753 0.81 MAPT (0.52) ALDH1A1AIPSGTATOMM70STIP1
SCHEMBL5956052 0.77 L3MBTL1 (0.33) ALDH1A1AIPSGTATOMM70STIP1
SCHEMBL3863957 0.75 CYP3A4 (0.46) ALDH1A1NPSR1LMNATP53MAPT
SCHEMBL13871294 0.72 SMN1; SMN2 (0.40) ALDH1A1NPSR1LMNAMAPTHPGD
SCHEMBL8289831 0.67 ALDH1A1 (0.78) ALDH1A1NPSR1LMNAMAPTHPGD
SCHEMBL5453212 0.67 GAA (0.77) ALDH1A1NPSR1LMNAMAPTHPGD
SCHEMBL5291980 0.66 ILK (0.52) ALDH1A1LMNATP53MAPTHPGD
SCHEMBL8442268 0.65 SMN1; SMN2 (0.39) ALDH1A1NPSR1LMNAMAPTHPGD
SCHEMBL3863859 0.64 KDR (0.45) ALDH1A1AIPSGTATOMM70STIP1
SCHEMBL14218016 0.64 PTPN1 (0.50) ALDH1A1NPSR1LMNATP53MAPT

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 23 patents — showing the first 20. 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
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-7498333-B2 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-7498333-B2 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
EP-1781673-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF AstraZeneca AB (SE) 2007-05-09 EP disclosed
EP-1781674-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTION OF CANCER AstraZeneca AB (SE) 2007-05-09 EP disclosed
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2006-11-30 US 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
WO-2006018628-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTI ON OF CANCER ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 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 (7 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-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 ALDH1A1 672/4885AIP 2753/4885SGTA 2206/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 ALDH1A1 672/4885AIP 2753/4885SGTA 2206/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS ALDH1A1 172/4885AIP 3035/4885SGTA 2735/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 ALDH1A1 293/4885AIP 3636/4885SGTA 2728/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 ALDH1A1 214/4885AIP 3247/4885SGTA 3678/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 ALDH1A1 214/4885AIP 3247/4885SGTA 3678/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI ALDH1A1 316/4885AIP 3386/4885SGTA 2998/4885

“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.