Sugi Predict

Sugi Predict / Compounds / SCHEMBL15217787

SCHEMBL15217787

SCHEMBL15217787

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(OC)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 1.00
▸ INSR P06213 18/20 1.00
▸ IGF1R P08069 18/20 1.00
▸ EGFR P00533 2/20 0.88
▸ CHEK1 O14757 1/20 0.88
▸ AURKA O14965 1/20 0.88
▸ NUAK1 O60285 1/20 0.88
▸ JAK2 O60674 1/20 0.88
▸ STK10 O94804 1/20 0.88
▸ PRKD3 O94806 1/20 0.88
▸ SLC34A2 O95436 1/20 0.88
▸ CHEK2 O96017 1/20 0.88
▸ ABL1 P00519 1/20 0.88
▸ CD74 P04233 1/20 0.88
▸ ERBB2 P04626 1/20 0.88
▸ LCK P06239 1/20 0.88
▸ FYN P06241 1/20 0.88
▸ FES P07332 1/20 0.88
▸ CSF1R P07333 1/20 0.88
▸ YES1 P07947 1/20 0.88

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
Brigatinib SCHEMBL29350096 0.94 ALK (1.00) ALKINSRIGF1REGFRCHEK1
Brigatinib SCHEMBL29432539 0.94 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916485 0.94 ALK (1.00) ALKINSRIGF1REGFRCHEK1
Brigatinib SCHEMBL11916361 0.94 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916463 0.93 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916608 0.93 ALK (0.87) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916616 0.93 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916482 0.91 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916444 0.91 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL11916541 0.90 ALK (0.93) ALKINSRIGF1REGFRCHEK1

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-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-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-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

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 316/4885INSR 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-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.