SCHEMBL11916655

SCHEMBL11916655

CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.67
GSK3B P49841 2/20 0.67
AURKA O14965 2/20 0.60
PTK2 Q05397 14/20 0.56
MAP4K4 O95819 2/20 0.56
IRAK4 Q9NWZ3 2/20 0.56
CDC7 O00311 1/20 0.56
ROCK2 O75116 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
HIPK2 Q9H2X6 1/20 0.56
SYK P43405 2/20 0.55
JAK2 O60674 2/20 0.52
NTRK1 P04629 2/20 0.52
TYK2 P29597 2/20 0.52
KDR P35968 2/20 0.52
JAK3 P52333 2/20 0.52
PTK2B Q14289 2/20 0.52

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
SCHEMBL11916427 0.99 GSK3A (0.66) GSK3AGSK3BAURKAPTK2MAP4K4
SCHEMBL11916383 0.89 PTK2 (0.58) GSK3AGSK3BAURKAPTK2SYK
SCHEMBL11916375 0.89 CDK1 (0.63) GSK3AGSK3BAURKAPTK2SYK
SCHEMBL11916184 0.88 AURKA (0.57) GSK3AGSK3BAURKAPTK2SYK
SCHEMBL11916390 0.88 PTK2 (0.57) GSK3AGSK3BAURKAPTK2SYK
SCHEMBL11916391 0.88 CDK1 (0.62) GSK3AGSK3BAURKAPTK2SYK
SCHEMBL11919224 0.87 AURKA (0.56) GSK3AGSK3BAURKAPTK2SYK
SCHEMBL11916372 0.86 ULK1 (0.55) GSK3AGSK3BAURKAPTK2SYK
SCHEMBL11916368 0.86 PTK2 (0.62) GSK3AGSK3BAURKAPTK2SYK
SCHEMBL11916389 0.85 AURKA (0.54) GSK3AGSK3BAURKAPTK2SYK

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 19 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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 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-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-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-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-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-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 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 (9 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 GSK3A 184/4885GSK3B 151/4885AURKA 304/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GSK3A 194/4885GSK3B 161/4885AURKA 182/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GSK3A 176/4885GSK3B 139/4885AURKA 211/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 GSK3A 165/4885GSK3B 154/4885AURKA 311/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 GSK3A 176/4885GSK3B 139/4885AURKA 211/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GSK3A 194/4885GSK3B 161/4885AURKA 182/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 GSK3A 184/4885GSK3B 151/4885AURKA 304/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 GSK3A 184/4885GSK3B 151/4885AURKA 304/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GSK3A 194/4885GSK3B 161/4885AURKA 182/4885

“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.