SCHEMBL3869347

SCHEMBL3869347

Cc1nsc(C(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 6/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 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
SCHEMBL27452484 0.83 ADORA2A (0.40) KDM4EPKMALDH1A1HPGDKMT2A
SCHEMBL12355760 0.77 KDM4E (0.43) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL26927225 0.74 KDM4E (0.41) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL12768618 0.74 GPR35 (0.41) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL20907651 0.74 KDM4E (0.36) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL8305360 0.74 ALDH1A1 (0.48) KDM4EPKMALDH1A1HPGDTSHR
SCHEMBL11755260 0.72 PLA2G2A (0.40) ALDH1A1HPGDKMT2AMAPT
SCHEMBL10985449 0.71 GABRP (0.41) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL11003416 0.71 ALDH1A1 (0.53) KDM4EPKMALDH1A1HPGDKMT2A
SCHEMBL8188239 0.70 KDM4E (0.40) KDM4EPKMALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101027309-B Enantiomers of selected fused pyrimidones and uses in the treatment and prevention of cancer ASTRAZENECA AB SE 2010-10-27 CN disclosed
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 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-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof ASTRAZENECA AB (SE) 2007-10-25 US disclosed
CN-101027309-A Enantiomers of selected fused pyrimidones and uses in the treatment and prevention of cancer ASTRAZENECA AB (SE) 2007-08-29 CN disclosed
CN-101023086-A Selectively fused heterocyclic ring and use thereof ASTRAZENECA AB (SE) 2007-08-22 CN 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-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

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-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof SDHA, CYP11B2, NQO1 KDM4E 2760/4885PKM 1157/4885ALDH1A1 293/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 KDM4E 1170/4885PKM 2567/4885ALDH1A1 672/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 KDM4E 1170/4885PKM 2567/4885ALDH1A1 672/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS KDM4E 3363/4885PKM 1828/4885ALDH1A1 172/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 KDM4E 2760/4885PKM 1157/4885ALDH1A1 293/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 KDM4E 2980/4885PKM 1654/4885ALDH1A1 214/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 KDM4E 2980/4885PKM 1654/4885ALDH1A1 214/4885

“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.