SCHEMBL3865717

SCHEMBL3865717

CCCC(=O)Nc1onc(C)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
AIP O00170 1/20 0.37
SGTA O43765 1/20 0.37
TOMM70 O94826 1/20 0.37
STIP1 P31948 1/20 0.37
PPP5C P53041 1/20 0.37
FKBP4 Q02790 1/20 0.37
PPID Q08752 1/20 0.37
FKBP5 Q13451 1/20 0.37
FKBP8 Q14318 1/20 0.37
TOMM34 Q15785 1/20 0.37
DNAJC7 Q99615 1/20 0.37
AIPL1 Q9NZN9 1/20 0.37

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
SCHEMBL13871294 0.80 SMN1; SMN2 (0.40) HSD17B10MAPTPOLBALDH1A1RXFP1
SCHEMBL6316033 0.76 MAPK14 (0.47) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL6317632 0.74 ADORA2A (0.53) HSD17B10MAPTPOLBALDH1A1MEN1
SCHEMBL6317993 0.73 ADORA1 (0.51) HSD17B10MAPTPOLBALDH1A1MEN1
SCHEMBL6315406 0.73 RAB9A (0.41) POLBALDH1A1MEN1KMT2ATP53
SCHEMBL12259363 0.72 MAPK1 (0.43) HSD17B10MAPTPOLBALDH1A1MEN1
SCHEMBL6315448 0.72 ALDH1A1 (0.43) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL3869753 0.71 MAPT (0.52) HSD17B10MAPTCYP2C19POLBALDH1A1
SCHEMBL6316802 0.70 MAP4K4 (0.42) HSD17B10MAPTPOLBALDH1A1MEN1
SCHEMBL6612159 0.69 POLB (0.46) HSD17B10CYP2C19POLBALDH1A1MEN1

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 21 patents — showing the first 20. 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-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-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-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-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-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 HSD17B10 1830/4885MAPT 4736/4885CYP2C19 105/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 HSD17B10 1830/4885MAPT 4736/4885CYP2C19 105/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS HSD17B10 2380/4885MAPT 4652/4885CYP2C19 180/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 HSD17B10 385/4885MAPT 3830/4885CYP2C19 55/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 HSD17B10 273/4885MAPT 4090/4885CYP2C19 20/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 HSD17B10 273/4885MAPT 4090/4885CYP2C19 20/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI HSD17B10 762/4885MAPT 4713/4885CYP2C19 29/4885

“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.