SCHEMBL11916529

SCHEMBL11916529

COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 1.00
▸ INSR P06213 16/20 1.00
▸ IGF1R P08069 16/20 1.00
▸ PTK2 Q05397 3/20 0.60
▸ MAPK8 P45983 2/20 0.60
▸ MAPK9 P45984 2/20 0.60
▸ MAPK10 P53779 2/20 0.60
▸ AURKA O14965 2/20 0.60
▸ ROS1 P08922 2/20 0.60
▸ CDC7 O00311 1/20 0.60
▸ PLK4 O00444 1/20 0.60
▸ CHEK1 O14757 1/20 0.60
▸ DCLK1 O15075 1/20 0.60
▸ PDPK1 O15530 1/20 0.60
▸ DAPK3 O43293 1/20 0.60
▸ DYRK3 O43781 1/20 0.60
▸ JAK2 O60674 1/20 0.60
▸ PRKD3 O94806 1/20 0.60
▸ PAK4 O96013 1/20 0.60
▸ CHEK2 O96017 1/20 0.60

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
SCHEMBL11916506 0.92 ALK (1.00) ALKINSRIGF1RPTK2MAPK8
SCHEMBL18350631 0.92 ALK (0.85) ALKINSRIGF1RPTK2MAPK8
SCHEMBL11916564 0.90 ALK (0.82) ALKINSRIGF1RPTK2MAPK8
SCHEMBL11916661 0.90 ALK (0.82) ALKINSRIGF1RPTK2MAPK8
SCHEMBL11916548 0.90 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL11916497 0.88 ALK (0.90) ALKINSRIGF1RAURKAROS1
SCHEMBL11916657 0.88 ALK (0.79) ALKINSRIGF1RPTK2MAPK8
SCHEMBL11919116 0.88 ALK (0.78) ALKINSRIGF1RPTK2LRRK2
SCHEMBL11916592 0.87 ALK (0.87) ALKINSRIGF1RAURKAROS1
SCHEMBL11916546 0.87 ALK (1.00) ALKINSRIGF1RAURKAROS1

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 20 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-20140024620-A1 Methods for Inhibiting Cell Proliferation in EGFR-Driven Cancers ARIAD PHARMACEUTICALS, INC. (US) 2014-01-23 — — 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-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-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 (10 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 ALK 316/4885INSR 767/4885IGF1R 543/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885INSR 941/4885IGF1R 526/4885
US-20140024620-A1 Methods for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, ERBB2, MKI67 ALK 28/4885INSR 816/4885IGF1R 37/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 265/4885INSR 985/4885IGF1R 586/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALK 370/4885INSR 751/4885IGF1R 477/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 ALK 265/4885INSR 985/4885IGF1R 586/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885INSR 941/4885IGF1R 526/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALK 316/4885INSR 767/4885IGF1R 543/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALK 316/4885INSR 767/4885IGF1R 543/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885INSR 941/4885IGF1R 526/4885

“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.

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