SCHEMBL22493281

SCHEMBL22493281

C[C@@H](Oc1cc(-c2cnn(C3CCN(C(=O)CCOCCOCCOCCOCCC(N)=O)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 18/20 0.66
▸ ALK Q9UM73 7/20 0.66
▸ MAP4K3 Q8IVH8 4/20 0.66
▸ JAK2 O60674 3/20 0.66
▸ PLK4 O00444 2/20 0.66
▸ AURKA O14965 2/20 0.66
▸ DCLK1 O15075 2/20 0.66
▸ PRKD3 O94806 2/20 0.66
▸ ABL1 P00519 2/20 0.66
▸ NTRK1 P04629 2/20 0.66
▸ INSR P06213 2/20 0.66
▸ LCK P06239 2/20 0.66
▸ FES P07332 2/20 0.66
▸ CSF1R P07333 2/20 0.66
▸ LYN P07948 2/20 0.66
▸ RET P07949 2/20 0.66
▸ IGF1R P08069 2/20 0.66
▸ ROS1 P08922 2/20 0.66
▸ SRC P12931 2/20 0.66
▸ FER P16591 2/20 0.66

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
SCHEMBL22493294 1.00 MET (0.66) METALKMAP4K3JAK2PLK4
SCHEMBL19826795 0.92 MET (0.69) METALKMAP4K3JAK2PLK4
SCHEMBL19821490 0.91 MET (0.71) METALKMAP4K3JAK2PLK4
SCHEMBL18651450 0.90 MET (0.67) METALKMAP4K3JAK2PLK4
SCHEMBL18651458 0.90 MET (0.67) METALKMAP4K3JAK2PLK4
SCHEMBL17446128 0.90 MET (0.67) METALKMAP4K3JAK2PLK4
SCHEMBL18079398 0.90 MET (0.67) METALKMAP4K3JAK2PLK4
SCHEMBL17445328 0.90 MET (0.67) METALKMAP4K3JAK2PLK4
SCHEMBL20086734 0.90 MET (0.67) METALKMAP4K3JAK2PLK4
SCHEMBL18561630 0.90 MET (0.70) METALKMAP4K3JAK2PLK4

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-11771709-B2 ALK protein degradation agent and anti-tumor application thereof SHANGHAITECH UNIVERSITY (CN) 2023-10-03 — — US disclosed
US-20200306273-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2020-10-01 — — 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 (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-20200306273-A1 ALK PROTEIN DEGRADATION AGENT AND ANTI-TUMOR APPLICATION THEREOF ADRM1, VHL, MDM2 MET 71/4885ALK 5/4885MAP4K3 1077/4885
US-11771709-B2 ALK protein degradation agent and anti-tumor application thereof ADRM1, VHL, MDM2 MET 71/4885ALK 5/4885MAP4K3 1077/4885

“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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