SCHEMBL1493628

SCHEMBL1493628

COc1cc(N2CCC(N3CC[PH](C)(O)CC3)CC2)ccc1Nc1nnc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.68
▸ TTK P33981 4/20 0.67
▸ INSR P06213 4/20 0.67
▸ FES P07332 3/20 0.67
▸ FLT3 P36888 3/20 0.67
▸ IGF1R P08069 3/20 0.67
▸ BMPR1B O00238 2/20 0.67
▸ PLK4 O00444 2/20 0.67
▸ GAK O14976 2/20 0.67
▸ ERN1 O75460 2/20 0.67
▸ STK10 O94804 2/20 0.67
▸ ABL1 P00519 2/20 0.67
▸ EGFR P00533 2/20 0.67
▸ LCK P06239 2/20 0.67
▸ FYN P06241 2/20 0.67
▸ YES1 P07947 2/20 0.67
▸ HCK P08631 2/20 0.67
▸ ROS1 P08922 2/20 0.67
▸ FER P16591 2/20 0.67
▸ EPHA2 P29317 2/20 0.67

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
SCHEMBL11900490 0.94 ALK (0.63) ALKTTKINSRFESFLT3
SCHEMBL17527319 0.89 ALK (0.67) ALKTTKINSRFESFLT3
SCHEMBL1493627 0.88 ALK (0.68) ALKTTKINSRFESFLT3
SCHEMBL17527331 0.84 ALK (0.63) ALKTTKINSRFESFLT3
SCHEMBL11900488 0.83 ALK (0.64) ALKTTKINSRFESFLT3
SCHEMBL22515548 0.82 ZAP70 (0.63) ALKTTKINSRFESFLT3
SCHEMBL17527458 0.82 ALK (0.58) ALKTTKINSRFESFLT3
SCHEMBL21478104 0.81 ALK (0.87) ALKTTKINSRFESFLT3
Tae-684 SCHEMBL282775 0.80 ALK (1.00) ALKTTKINSRFESFLT3
Tae-684 SCHEMBL29641017 0.80 ALK (1.00) ALKTTKINSRFESFLT3

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-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 — — US claimed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 — — US claimed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 — — US claimed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US claimed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 — — US claimed
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
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 — — EP 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-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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
EP-2300013-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-03-30 — — EP disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 — — 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 (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 ALK 316/4885TTK 369/4885INSR 767/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885TTK 406/4885INSR 941/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 265/4885TTK 398/4885INSR 985/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALK 370/4885TTK 423/4885INSR 751/4885
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 ALK 265/4885TTK 398/4885INSR 985/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885TTK 406/4885INSR 941/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALK 316/4885TTK 369/4885INSR 767/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 ALK 316/4885TTK 369/4885INSR 767/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ALK 256/4885TTK 406/4885INSR 941/4885

“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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