SCHEMBL2921111

SCHEMBL2921111

CS(=O)(=O)NN1CCCNCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HTR6 P50406 1/20 0.32
GNAI3 P08754 2/20 0.31
GNAO1 P09471 2/20 0.31
GNAI1 P63096 2/20 0.31
CXCR4 P61073 1/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL946454 0.92 KDM4E (0.37) KDM4EGNAI3GNAO1GNAI1
SCHEMBL14697765 0.80
SCHEMBL4592120 0.80 ALDH1A1 (0.34) KDM4E
SCHEMBL176589 0.78 CA2 (0.36) KDM4E
Hydrochloric Acid SCHEMBL11534985 0.76 CA1 (0.35) KDM4E
SCHEMBL7353020 0.75
SCHEMBL19057144 0.72
SCHEMBL27619702 0.71 CXCR4 (0.32) KDM4ECXCR4
SCHEMBL3631455 0.70 KDM4E (0.37) KDM4EGNAI3GNAO1GNAI1
SCHEMBL6333240 0.70 KDM4E (0.37) KDM4EHTR6GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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 (5 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R KDM4E 3802/4885HTR6 625/4885GNAI3 193/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 KDM4E 3557/4885HTR6 591/4885GNAI3 468/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 KDM4E 4322/4885HTR6 1281/4885GNAI3 529/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 KDM4E 2256/4885HTR6 1057/4885GNAI3 1303/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 KDM4E 2853/4885HTR6 1890/4885GNAI3 952/4885

“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.