SCHEMBL14866452

SCHEMBL14866452

COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccccc2n1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.89
▸ TTK P33981 4/20 0.79
▸ FES P07332 2/20 0.64
▸ FLT3 P36888 2/20 0.64
▸ ZAP70 P43403 3/20 0.62
▸ ULK1 O75385 2/20 0.59
▸ BMPR1B O00238 1/20 0.59
▸ PLK4 O00444 1/20 0.59
▸ STK25 O00506 1/20 0.59
▸ RIOK3 O14730 1/20 0.59
▸ CHEK1 O14757 1/20 0.59
▸ CASK O14936 1/20 0.59
▸ AURKA O14965 1/20 0.59
▸ GAK O14976 1/20 0.59
▸ DCLK1 O15075 1/20 0.59
▸ MUSK O15146 1/20 0.59
▸ EPHB6 O15197 1/20 0.59
▸ PDPK1 O15530 1/20 0.59
▸ MAP3K13 O43283 1/20 0.59
▸ DAPK3 O43293 1/20 0.59

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
SCHEMBL14866318 0.94 ALK (1.00) ALKTTKFESFLT3ZAP70
SCHEMBL14866148 0.91 ALK (0.77) ALKTTKFESFLT3ZAP70
SCHEMBL14866260 0.91 ALK (0.76) ALKTTKFESFLT3ZAP70
SCHEMBL14866499 0.91 ALK (0.76) ALKTTKFESFLT3ZAP70
SCHEMBL14866256 0.90 ALK (0.76) ALKTTKFESFLT3ZAP70
SCHEMBL14866157 0.90 ALK (0.75) ALKTTKFESFLT3ZAP70
SCHEMBL14866359 0.90 TTK (0.81) ALKTTKFESFLT3ZAP70
SCHEMBL14866525 0.89 ALK (0.89) ALKTTKFESFLT3ZAP70
SCHEMBL14866145 0.89 ALK (0.79) ALKTTKFESFLT3ZAP70
SCHEMBL17731736 0.88 TTK (1.00) ALKTTKFESFLT3ZAP70

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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 — — 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALK 3/4885TTK 333/4885FES 177/4885

“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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