SCHEMBL18812814

SCHEMBL18812814

COc1cc(C2CCC3(CCNCC3)CC2)ccc1Nc1cc(Nc2ccccc2P(C)(C)=O)c(Cl)cn1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.62
▸ INSR P06213 7/20 0.55
▸ IGF1R P08069 7/20 0.55
▸ PTK2 Q05397 1/20 0.49
▸ EGFR P00533 3/20 0.48
▸ MET P08581 1/20 0.46
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ EML4 Q9HC35 1/20 0.43

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
SCHEMBL17411243 0.87 ALK (0.82) ALKINSRIGF1RPTK2EGFR
SCHEMBL18812805 0.82 ALK (0.65) ALKINSRIGF1REGFRMAPK9
SCHEMBL28703584 0.81 ALK (0.51) ALKINSRIGF1RPTK2EGFR
SCHEMBL17410995 0.79 ALK (0.70) ALKINSRIGF1RPTK2EGFR
SCHEMBL11919111 0.78 ALK (0.81) ALKINSRIGF1RPTK2EGFR
SCHEMBL17410895 0.77 ALK (1.00) ALKINSRIGF1RPTK2EGFR
SCHEMBL28690880 0.76 ALK (0.48) ALKINSRIGF1RPTK2
SCHEMBL28703587 0.76 PTK2 (0.45) ALKINSRIGF1RPTK2
SCHEMBL18831896 0.74 EGFR (0.63) ALKINSRIGF1REGFRMET
SCHEMBL28710161 0.74 ALK (0.60) 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 4 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
EP-3165530-A1 SPIROCYCLIC ARYL PHOSPHORUS OXIDE AND ARYL PHOSPHORUS SULFIDE Qilu Pharmaceutical Co., Ltd (CN) 2017-05-10 — — EP 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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