SCHEMBL21844685

SCHEMBL21844685

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.76
▸ ZAP70 P43403 4/20 0.73
▸ EGFR P00533 4/20 0.71
▸ ROS1 P08922 5/20 0.69
▸ BMPR1B O00238 1/20 0.69
▸ PLK4 O00444 1/20 0.69
▸ STK25 O00506 1/20 0.69
▸ RIOK3 O14730 1/20 0.69
▸ CHEK1 O14757 1/20 0.69
▸ CASK O14936 1/20 0.69
▸ AURKA O14965 1/20 0.69
▸ GAK O14976 1/20 0.69
▸ DCLK1 O15075 1/20 0.69
▸ MUSK O15146 1/20 0.69
▸ EPHB6 O15197 1/20 0.69
▸ PDPK1 O15530 1/20 0.69
▸ MAP3K13 O43283 1/20 0.69
▸ DAPK3 O43293 1/20 0.69
▸ MAP3K7 O43318 1/20 0.69
▸ RIPK2 O43353 1/20 0.69

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
SCHEMBL30165141 1.00 ALK (0.76) ALKZAP70EGFRROS1BMPR1B
SCHEMBL21815096 0.91 ALK (0.79) ALKZAP70EGFRROS1BMPR1B
SCHEMBL14866190 0.90 ALK (0.73) ALKZAP70EGFRROS1BMPR1B
SCHEMBL28881275 0.88 CCNK (0.77) ALKCDK2AXLNEK2PTK2
SCHEMBL29316154 0.88 ALK (0.81) ALKZAP70EGFRROS1BMPR1B
SCHEMBL18843559 0.88 ALK (0.87) ALKZAP70EGFRROS1BMPR1B
SCHEMBL21847010 0.88 ALK (0.81) ALKEGFRINSRIGF1RCDK2
SCHEMBL19027382 0.87 ALK (0.80) ALKEGFRROS1ERBB2INSR
SCHEMBL21847018 0.86 EGFR (0.76) ALKEGFRLRRK2
SCHEMBL16752955 0.86 ALK (1.00) ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409731-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-29 — — US disclosed
WO-2020069106-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-02 — — 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 (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-20220409731-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF ALK, BCR, FAP ALK 1/4885ZAP70 1262/4885EGFR 7/4885

“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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