SCHEMBL713

SCHEMBL713

Cc1c(CCl)ncn1S(=O)(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL993 0.83 KDM4E (0.46) KDM4EGAATSHRSMN1; SMN2HTT
SCHEMBL1315 0.78 KDM4E (0.42) KDM4EGAATSHRSMN1; SMN2
SCHEMBL941 0.78 TSHR (0.40) KDM4EGAATSHRSMN1; SMN2
SCHEMBL22075818 0.77 KDM4E (0.53) KDM4EGAATSHRSMN1; SMN2HTT
SCHEMBL7267947 0.71 KDM4E (0.47) KDM4EGAATSHRSMN1; SMN2HTT
SCHEMBL4200809 0.68 KDM4E (0.37) KDM4EGAATSHRHTT
SCHEMBL9321576 0.67 KDM4E (0.40) KDM4EGAATSHRHTT
SCHEMBL12178322 0.67 SMN1; SMN2 (0.40) KDM4EGAATSHRSMN1; SMN2HTT
SCHEMBL16523107 0.64 HTT (0.41) KDM4EGAATSHRSMN1; SMN2HTT
SCHEMBL13059052 0.63 ADORA2A (0.34)

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-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-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-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-9309242-B2 Substituted pyrido[2,3-b]pyrazines as FGFR kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2016-04-12 US disclosed
US-20140288053-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
US-20140288053-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
US-5183820-A Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia GLAXO GROUP LIMITED (GB) 1993-02-02 US disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 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-10004733-B2 SDHB, SDHA, NDUFS5 KDM4E 3331/4885GAA 1015/4885TSHR 3445/4885
US-20140288053-A1 ANTICANCER PYRIDOPYRAZINES VIA THE INHIBITION OF FGFR KINASES FGFR1, FGFR2, FGFR4 KDM4E 939/4885GAA 1855/4885TSHR 3035/4885
US-20160235744-A1 SUBSTITUTED PYRIDO[2,3-b]PYRAZINES AS FGFR KINASE INHIBITORS FGFR1, FGFR2, FGFR3 KDM4E 987/4885GAA 2712/4885TSHR 2033/4885

“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.