SCHEMBL993

SCHEMBL993

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SORD Q00796 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
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
SCHEMBL713 0.83 KDM4E (0.46) KDM4EGAATSHRMEN1KMT2A
SCHEMBL1315 0.78 KDM4E (0.42) KDM4EGAATSHRSMN1; SMN2
SCHEMBL22075818 0.77 KDM4E (0.53) KDM4EGAATSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9281270 0.74 KDM4E (0.36) KDM4EGAATSHRSORD
SCHEMBL7267947 0.71 KDM4E (0.47) KDM4EGAATSHRMEN1KMT2A
SCHEMBL4215152 0.68 SORD (0.42) KDM4EGAATSHRSORDHTT
SCHEMBL20797472 0.67 KDM4E (0.36) KDM4EGAATSHRMEN1KMT2A
SCHEMBL12178905 0.67 SMN1; SMN2 (0.37) KDM4EGAATSHRMEN1KMT2A
SCHEMBL8011007 0.66
SCHEMBL941 0.66 TSHR (0.40) KDM4EGAATSHRSMN1; 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 11 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
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.