SCHEMBL17411243

SCHEMBL17411243

COc1cc(C2CCC3(CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.82
▸ INSR P06213 8/20 0.74
▸ IGF1R P08069 8/20 0.74
▸ PTK2 Q05397 1/20 0.66
▸ EGFR P00533 3/20 0.65
▸ MET P08581 1/20 0.64
▸ AURKA O14965 1/20 0.59
▸ ROS1 P08922 1/20 0.59
▸ EML4 Q9HC35 1/20 0.59

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
SCHEMBL11919111 0.92 ALK (0.81) ALKINSRIGF1RPTK2EGFR
SCHEMBL17410995 0.92 ALK (0.70) ALKINSRIGF1RPTK2EGFR
SCHEMBL17410895 0.90 ALK (1.00) ALKINSRIGF1RPTK2EGFR
SCHEMBL18812814 0.87 ALK (0.62) ALKINSRIGF1RPTK2EGFR
SCHEMBL30761516 0.87 ALK (0.79) ALKINSRIGF1RPTK2EGFR
SCHEMBL17411098 0.86 ALK (1.00) ALKINSRIGF1RPTK2EGFR
SCHEMBL18831896 0.86 EGFR (0.63) ALKINSRIGF1REGFRMET
SCHEMBL15444826 0.85 ALK (1.00) ALKINSRIGF1RPTK2EGFR
SCHEMBL17411090 0.83 ALK (0.86) ALKINSRIGF1REGFR
SCHEMBL17410966 0.83 ALK (1.00) ALKINSRIGF1RPTK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3165530-B1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QILU PHARMACEUTICAL CO LTD (CN) 2018-12-05 — — EP disclosed
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide QILU PHARMACEUTICAL CO., LTD. (CN) 2018-08-21 — — US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 — — US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 — — US disclosed
US-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE QUILU PHARMACEUTICAL CO., LTD. (CN) 2017-05-11 — — US disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 — — EP disclosed
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 — — EP disclosed
WO-2016000581-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE 南京明德新药研发股份有限公司 2016-01-07 — — 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 (2 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-20170129909-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE ALK, ROS1, ARSA ALK 1/4885INSR 993/4885IGF1R 507/4885
US-10053477-B2 Spirocyclic aryl phosphorus oxide and aryl phosphorus sulfide ALK, ROS1, ARSA ALK 1/4885INSR 993/4885IGF1R 507/4885

“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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