SCHEMBL2124885

SCHEMBL2124885

CN(C)S(=O)(=O)n1ccnc1C=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2053373 0.76 KDM4E (0.45) KDM4EGAAHTTTSHRSMN1; SMN2
SCHEMBL13261284 0.76 HTT (0.41) KDM4EGAAHTTTSHRSMN1; SMN2
SCHEMBL14334531 0.74 KDM4E (0.40) KDM4EGAAHTTTSHRSMN1; SMN2
SCHEMBL1688602 0.74 HTT (0.40) KDM4EGAAHTTTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL7220242 0.74 TSHR (0.41) KDM4EGAAHTTTSHRSMN1; SMN2
SCHEMBL7221203 0.73 KDM4E (0.39) KDM4EGAAHTTTSHR
SCHEMBL2126277 0.72 KDM4E (0.36) KDM4EGAAHTTTSHRALDH1A1
SCHEMBL13324127 0.71 HTT (0.42) KDM4EGAAHTTTSHRSMN1; SMN2
SCHEMBL8142536 0.71 TSHR (0.48) KDM4EGAAHTTTSHRALDH1A1
SCHEMBL14333359 0.71 SMN1; SMN2 (0.44) KDM4EGAAHTTTSHRSMN1; SMN2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776435-B1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LTD (GB) 2018-06-27 EP disclosed
US-10004733-B2 2018-06-26 US disclosed
US-20160235744-A1 SUBSTITUTED PYRIDO[2,3-b]PYRAZINES AS FGFR KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2016-08-18 US disclosed
US-9309242-B2 Substituted pyrido[2,3-b]pyrazines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-04-12 US disclosed
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-20140288053-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 EP disclosed
EP-2444402-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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 (9 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 KDM4E 1573/4885GAA 2552/4885HTT 2395/4885
US-10004733-B2 SDHB, SDHA, NDUFS5 KDM4E 3331/4885GAA 1015/4885HTT 1719/4885
US-20140288053-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES FGFR1, FGFR2, FGFR4 KDM4E 939/4885GAA 1855/4885HTT 1702/4885
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 KDM4E 4377/4885GAA 4348/4885HTT 2895/4885
US-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 KDM4E 3157/4885GAA 872/4885HTT 303/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 KDM4E 4564/4885GAA 4070/4885HTT 3033/4885
US-20160235744-A1 SUBSTITUTED PYRIDO[2,3-b]PYRAZINES AS FGFR KINASE INHIBITORS FGFR1, FGFR2, FGFR3 KDM4E 987/4885GAA 2712/4885HTT 2656/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 KDM4E 3862/4885GAA 3207/4885HTT 2978/4885

“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.