SCHEMBL17410890

SCHEMBL17410890

COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2c(F)cccc2P(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
▸ EGFR P00533 3/20 0.80
▸ INSR P06213 6/20 0.68
▸ IGF1R P08069 6/20 0.68
▸ CHEK1 O14757 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ NUAK1 O60285 1/20 0.63
▸ JAK2 O60674 1/20 0.63
▸ STK10 O94804 1/20 0.63
▸ PRKD3 O94806 1/20 0.63
▸ SLC34A2 O95436 1/20 0.63
▸ CHEK2 O96017 1/20 0.63
▸ ABL1 P00519 1/20 0.63
▸ CD74 P04233 1/20 0.63
▸ ERBB2 P04626 1/20 0.63
▸ LCK P06239 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ FES P07332 1/20 0.63
▸ CSF1R P07333 1/20 0.63
▸ YES1 P07947 1/20 0.63

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
Iruplinalkib SCHEMBL30297159 0.89 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
Iruplinalkib SCHEMBL30195062 0.89 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
Iruplinalkib SCHEMBL17411099 0.89 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
SCHEMBL11916622 0.89 ALK (0.80) ALKEGFRINSRIGF1RCHEK1
SCHEMBL17410900 0.87 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
SCHEMBL17410973 0.84 ALK (0.90) ALKEGFRINSRIGF1RCHEK1
SCHEMBL17410897 0.84 ALK (0.79) ALKEGFRINSRIGF1R
SCHEMBL27270881 0.83 ALK (0.87) ALKEGFRINSRIGF1RCHEK1
SCHEMBL17410982 0.83 ALK (1.00) ALKEGFRINSRIGF1RCHEK1
SCHEMBL24940073 0.82 ALK (0.77) ALKEGFRINSRIGF1R

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 1/4885EGFR 209/4885INSR 993/4885
US-10053477-B2 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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