SCHEMBL1070526

SCHEMBL1070526

CSc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 14/20 0.38
CDK9 P50750 14/20 0.38
ADRA2A P08913 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ALK Q9UM73 2/20 0.36
TTK P33981 1/20 0.35
DCLK1 O15075 1/20 0.34

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
SCHEMBL15214952 0.84 CDK9 (0.41) CDK7CDK9ADRA2AADRA1DADRA1A
SCHEMBL1070192 0.83 CDK7 (0.38) CDK7CDK9ADRA2AADRA1DADRA1A
SCHEMBL15499778 0.83 ADRA2C (0.40) ADRA2AADRA1DADRA1AADRA1B
SCHEMBL11919207 0.80 KCNN3 (0.33) CDK9
SCHEMBL12769217 0.75 METAP2 (0.42) CDK9
SCHEMBL1072883 0.75 KCNN3 (0.54) CDK7CDK9ALK
SCHEMBL12364041 0.74 ALK (0.59) CDK7CDK9ALK
SCHEMBL12364046 0.72 ALK (0.48) ALK
SCHEMBL11916291 0.72 ALK (0.61) ALKTTKDCLK1
SCHEMBL12364043 0.72 PTK2 (0.42) ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8518931-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-8518931-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-8518931-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110190264-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
US-20110190264-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
US-20110190264-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
EP-2271645-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126514-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-10-15 WO 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 (8 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CDK7 123/4885CDK9 129/4885ADRA2A 4011/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CDK7 104/4885CDK9 60/4885ADRA2A 4635/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CDK7 96/4885CDK9 59/4885ADRA2A 4596/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 CDK7 148/4885CDK9 149/4885ADRA2A 3853/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 CDK7 96/4885CDK9 59/4885ADRA2A 4596/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CDK7 123/4885CDK9 129/4885ADRA2A 4011/4885
US-20110190264-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS ROS1, IGF1R, INSR CDK7 401/4885CDK9 611/4885ADRA2A 3240/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 CDK7 123/4885CDK9 129/4885ADRA2A 4011/4885

“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.