SCHEMBL16282948

SCHEMBL16282948

CC(C)(C)c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.61
RXFP1 Q9HBX9 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
HSD17B10 Q99714 3/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 4/20 0.53
ALDH1A1 P00352 6/20 0.52
POLB P06746 4/20 0.52
KMT2A Q03164 4/20 0.52
GFER P55789 1/20 0.52
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL16284288 0.80 KDM4E (0.78) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL189392 0.77 KDM4E (0.63) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL189044 0.76 RXFP1 (1.00) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL1385584 0.76 KDM4E (0.67) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL24287534 0.76 KDM4E (0.60) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL29516261 0.76 KDM4E (0.60) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL5475358 0.76 KDM4E (0.72) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL1790490 0.75 MAPT (0.63) KDM4ERXFP1NPSR1HSD17B10LMNA
SCHEMBL14123555 0.75 MAPT (0.59) KDM4ERXFP1NPSR1LMNAMAPT
SCHEMBL2184492 0.75 MAPT (0.75) KDM4ERXFP1NPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-12-01 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 (5 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4E 1164/4885RXFP1 4379/4885NPSR1 2845/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 KDM4E 1170/4885RXFP1 4499/4885NPSR1 3531/4885
US-20110294806-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ABL1, CDKN1A, MAP3K13 KDM4E 464/4885RXFP1 4165/4885NPSR1 1988/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 KDM4E 1122/4885RXFP1 4352/4885NPSR1 3006/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4E 1164/4885RXFP1 4379/4885NPSR1 2845/4885

“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.