SCHEMBL17410892

SCHEMBL17410892

CN1CCC2(CCC(c3ccc(Nc4ncc(Cl)c(Nc5ccccc5P(C)(C)=O)n4)c(OC(F)F)c3)CC2)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 19/20 0.85
▸ INSR P06213 8/20 0.73
▸ IGF1R P08069 8/20 0.73
▸ EGFR P00533 2/20 0.68
▸ MAP4K1 Q92918 1/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ AURKA O14965 1/20 0.57
▸ NUAK1 O60285 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ STK10 O94804 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ SLC34A2 O95436 1/20 0.57
▸ CHEK2 O96017 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ CD74 P04233 1/20 0.57
▸ ERBB2 P04626 1/20 0.57
▸ LCK P06239 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ FES P07332 1/20 0.57
▸ CSF1R P07333 1/20 0.57

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
SCHEMBL17410895 0.92 ALK (1.00) ALKINSRIGF1REGFRMAP4K1
SCHEMBL17410995 0.91 ALK (0.70) ALKINSRIGF1REGFRMET
SCHEMBL18845176 0.90 ALK (0.75) ALKINSRIGF1REGFRMAP4K1
SCHEMBL17410920 0.89 ALK (1.00) ALKINSRIGF1REGFRCHEK1
SCHEMBL18831989 0.85 ALK (0.75) ALKINSRIGF1REGFRMAP4K1
SCHEMBL15444826 0.84 ALK (1.00) ALKINSRIGF1REGFRMAP4K1
SCHEMBL17411243 0.83 ALK (0.82) ALKINSRIGF1REGFRAURKA
SCHEMBL18832000 0.82 ALK (0.88) ALKINSRIGF1REGFRCHEK1
SCHEMBL17411144 0.82 ALK (0.86) ALKINSRIGF1REGFRAURKA
Iruplinalkib SCHEMBL30195062 0.81 ALK (1.00) 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 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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