SCHEMBL3901729

SCHEMBL3901729

Cc1noc2nc(CC(C)C)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KIF11 P52732 1/20 0.47
HPGD P15428 2/20 0.43
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
DCTPP1 Q9H773 1/20 0.39
SLC26A6 Q9BXS9 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL6208219 0.89 SMN1; SMN2 (0.45) SMN1; SMN2KIF11HPGDPDE4APDE4B
SCHEMBL6208130 0.89 KIF11 (0.48) SMN1; SMN2KIF11HPGDPDE4APDE4B
SCHEMBL4043063 0.89 SMN1; SMN2 (0.44) SMN1; SMN2KIF11HPGDMEN1KMT2A
SCHEMBL4059248 0.87 SLC26A6 (0.43) SMN1; SMN2KIF11HPGDMEN1KMT2A
SCHEMBL3871568 0.86 SMN1; SMN2 (0.53) SMN1; SMN2KIF11HPGDPDE4APDE4B
SCHEMBL5246246 0.82 PDE4A (0.49) SMN1; SMN2KIF11HPGDPDE4APDE4B
SCHEMBL3872559 0.80 KIF11 (0.54) SMN1; SMN2KIF11HPGDLMNADCTPP1
SCHEMBL3888693 0.80 KIF11 (0.51) SMN1; SMN2KIF11HPGDMEN1KMT2A
SCHEMBL6208538 0.78 PDE4A (0.51) SMN1; SMN2KIF11PDE4APDE4BPDE4C
SCHEMBL5234446 0.78 BRD4 (0.42) SMN1; SMN2KIF11HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof ASTRAZENECA AB (SE) 2007-10-25 US 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
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 (8 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 SMN1; SMN2 2365/4885KIF11 2056/4885HPGD 71/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 SMN1; SMN2 2764/4885KIF11 1978/4885HPGD 1457/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 SMN1; SMN2 2764/4885KIF11 1978/4885HPGD 1457/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS SMN1; SMN2 1311/4885KIF11 3865/4885HPGD 283/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 SMN1; SMN2 2365/4885KIF11 2056/4885HPGD 71/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 SMN1; SMN2 2121/4885KIF11 3171/4885HPGD 93/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 SMN1; SMN2 2121/4885KIF11 3171/4885HPGD 93/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI SMN1; SMN2 2206/4885KIF11 3559/4885HPGD 1489/4885

“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.