SCHEMBL3901568

SCHEMBL3901568

CCC(NCCCNC(=O)OC(C)(C)C)c1nc2onc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
SCD O00767 1/20 0.36
SLC26A6 Q9BXS9 2/20 0.36
TLR7 Q9NYK1 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SYK P43405 1/20 0.35
GNRHR P30968 1/20 0.34

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
SCHEMBL5899025 0.90 KIF11 (0.43) KIF11MAPTSCDTLR7NPSR1
SCHEMBL3871312 0.89 KIF11 (0.46) KIF11SMN1; SMN2MAPTSCDSLC26A6
SCHEMBL4040581 0.85 KIF11 (0.53) KIF11SMN1; SMN2MAPTSLC26A6NPSR1
SCHEMBL3871323 0.84 KIF11 (0.49) KIF11MAPTTLR7NPSR1BRD4
SCHEMBL4040410 0.84 KIF11 (0.60) KIF11SMN1; SMN2
SCHEMBL5246052 0.82 TLR7 (0.43) KIF11SMN1; SMN2TLR7NPSR1SIGMAR1
SCHEMBL5899066 0.82 KIF11 (0.54) KIF11SMN1; SMN2SLC26A6NPSR1
SCHEMBL4042343 0.81 KIF11 (0.38) KIF11SMN1; SMN2SLC26A6BRD4GNRHR
SCHEMBL3887257 0.81 KIF11 (0.75) KIF11
SCHEMBL5246048 0.81 KIF11 (0.44) KIF11SMN1; SMN2SLC26A6TLR7NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7022850-B2 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 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
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2004-12-02 US 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 KIF11 1978/4885SMN1; SMN2 2764/4885MAPT 4736/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 KIF11 1978/4885SMN1; SMN2 2764/4885MAPT 4736/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS KIF11 3865/4885SMN1; SMN2 1311/4885MAPT 4652/4885
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases CCNB1, CCNB2, CCNI KIF11 257/4885SMN1; SMN2 1670/4885MAPT 1096/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 KIF11 2056/4885SMN1; SMN2 2365/4885MAPT 3830/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 KIF11 3171/4885SMN1; SMN2 2121/4885MAPT 4090/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 KIF11 3171/4885SMN1; SMN2 2121/4885MAPT 4090/4885

“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.