SCHEMBL11919337

SCHEMBL11919337

Bc1ccc(Nc2nc(Nc3ccc(P(C)(C)=O)cc3OC)ncc2Cl)c(S(=O)(=O)C(C)C)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.81
▸ INSR P06213 11/20 0.81
▸ IGF1R P08069 6/20 0.81
▸ ZAP70 P43403 2/20 0.59
▸ EGFR P00533 1/20 0.54
▸ ROS1 P08922 1/20 0.54

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
SCHEMBL11916412 0.90 ALK (0.81) ALKINSRIGF1RZAP70EGFR
SCHEMBL11900462 0.90 ALK (1.00) ALKINSRIGF1RZAP70EGFR
SCHEMBL15219334 0.88 ALK (0.78) ALKINSRIGF1RZAP70EGFR
SCHEMBL11916450 0.88 ALK (0.78) ALKINSRIGF1RZAP70EGFR
SCHEMBL11916581 0.86 ALK (0.75) ALKINSRIGF1RZAP70EGFR
SCHEMBL11916600 0.85 ALK (0.74) ALKINSRIGF1RZAP70EGFR
SCHEMBL11916497 0.85 ALK (0.90) ALKINSRIGF1REGFRROS1
SCHEMBL11916589 0.83 ALK (0.79) ALKINSRIGF1R
SCHEMBL11901034 0.83 ALK (0.87) ALKINSRIGF1R
SCHEMBL11916475 0.83 ALK (0.87) ALKINSRIGF1RZAP70EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 ALK 370/4885INSR 751/4885IGF1R 477/4885

“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.

Send feedback