SCHEMBL16018002

SCHEMBL16018002

CS(=O)(=O)c1ccc2[nH]cc(I)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 4/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
SPR P35270 1/20 0.43
TDO2 P48775 1/20 0.43
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3223480 0.77 SPR (0.46) KMT2AMEN1POLBDUSP3PTPN5
SCHEMBL3626275 0.76 G6PD (0.46) KMT2AMEN1POLBDUSP3PTPN5
SCHEMBL8534023 0.76 TDO2 (0.49) KMT2AMEN1POLBSPRTDO2
SCHEMBL29030263 0.73 GPR84 (0.51) KMT2AMEN1MAPTHPGDHSD17B10
SCHEMBL25417105 0.73 F7 (0.53) POLBDUSP3PTPN5PTPN11HPGD
SCHEMBL18853864 0.73 SPR (0.43) KMT2AMEN1SPRTDO2MAPT
SCHEMBL27528224 0.73 ALDH1A1 (0.45) KMT2AMEN1POLBSPRTDO2
SCHEMBL23612225 0.73 GAA (0.58) KMT2AMEN1POLBSPRMAPT
SCHEMBL15902102 0.73 ALDH1A1 (0.58) KMT2AMEN1SPRTDO2MAPT
SCHEMBL14149895 0.72 MAPT (0.49) KMT2AMEN1TDO2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-11 US 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 (2 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-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 KMT2A 429/4885MEN1 1942/4885POLB 2057/4885
US-20140256949-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 KMT2A 429/4885MEN1 1942/4885POLB 2057/4885

“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.