SCHEMBL17411037

SCHEMBL17411037

COc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.62
▸ EGFR P00533 1/20 0.62
▸ INSR P06213 6/20 0.57
▸ IGF1R P08069 6/20 0.57
▸ PTK2 Q05397 1/20 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
SCHEMBL18812802 0.94 ALK (0.67) ALKEGFRINSRIGF1RPTK2
SCHEMBL20472805 0.90 ALK (0.66) ALKEGFRINSRIGF1RPTK2
SCHEMBL17410889 0.87 ALK (0.79) ALKEGFRINSRIGF1RPTK2
SCHEMBL17411082 0.85 ALK (0.80) ALKEGFRINSRIGF1R
SCHEMBL30761517 0.83 ALK (0.82) ALKEGFRINSRIGF1RPTK2
SCHEMBL24818145 0.83 ALK (0.79) ALKEGFRINSRIGF1R
SCHEMBL24207615 0.78 ALK (0.73) ALKEGFRINSRIGF1RPTK2
SCHEMBL14866190 0.78 ALK (0.73) ALKEGFRINSRIGF1RPTK2
SCHEMBL30497500 0.77 EGFR (0.65) ALKEGFR
SCHEMBL26500041 0.77 EGFR (0.65) ALKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 1/4885EGFR 209/4885INSR 993/4885

“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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