SCHEMBL2126277

SCHEMBL2126277

CN(C)S(=O)(=O)n1ccnc1CNCc1nccn1S(=O)(=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
FGFR1 P11362 10/20 0.36
FGFR2 P21802 10/20 0.36
FGFR4 P22455 10/20 0.36
FGFR3 P22607 10/20 0.36
KDR P35968 8/20 0.36
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SORD Q00796 1/20 0.33

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
SCHEMBL2694828 0.93 MEN1 (0.38) KDM4EGAAHTTFGFR1FGFR2
SCHEMBL4074571 0.89 MEN1 (0.43) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4068129 0.89 KDM4E (0.36) KDM4EGAAHTTFGFR1FGFR2
SCHEMBL2125726 0.87 MEN1 (0.37) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL8142536 0.83 TSHR (0.48) KDM4EGAAHTTFGFR1FGFR2
SCHEMBL16125136 0.81 KDM4E (0.37) KDM4EGAAHTTFGFR1FGFR2
SCHEMBL4200809 0.81 KDM4E (0.37) KDM4EGAAHTTFGFR1FGFR2
SCHEMBL20309635 0.81 KDM4E (0.37) KDM4EGAAHTTFGFR1FGFR2
SCHEMBL4215152 0.81 SORD (0.42) KDM4EGAAHTTFGFR1FGFR2
SCHEMBL8142567 0.80 SMN1; SMN2 (0.47) KDM4EGAAHTTFGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8476290-B2 Compound having spiro-bonded cyclic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-20120101280-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
EP-2444402-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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 (3 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 KDM4E 4477/4885GAA 3516/4885HTT 3242/4885
US-20120101280-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF CXCR4, CXCL12, CCR5 KDM4E 4625/4885GAA 4645/4885HTT 3473/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 KDM4E 4606/4885GAA 4242/4885HTT 3636/4885

“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.