SCHEMBL21709622

SCHEMBL21709622

CNC(O)N1CCP(=O)(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 3/20 0.63
▸ ALK Q9UM73 18/20 0.63
▸ ROS1 P08922 6/20 0.61
▸ EGFR P00533 3/20 0.61
▸ INSR P06213 2/20 0.60
▸ IGF1R P08069 2/20 0.60
▸ BMPR1B O00238 1/20 0.58
▸ PLK4 O00444 1/20 0.58
▸ STK25 O00506 1/20 0.58
▸ RIOK3 O14730 1/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ CASK O14936 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ GAK O14976 1/20 0.58
▸ DCLK1 O15075 1/20 0.58
▸ MUSK O15146 1/20 0.58
▸ EPHB6 O15197 1/20 0.58
▸ PDPK1 O15530 1/20 0.58
▸ MAP3K13 O43283 1/20 0.58
▸ DAPK3 O43293 1/20 0.58

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
SCHEMBL11916438 0.91 ALK (0.69) ZAP70ALKROS1EGFRINSR
SCHEMBL11916504 0.89 ZAP70 (0.63) ZAP70ALKROS1EGFRINSR
SCHEMBL11916512 0.89 ALK (0.68) ZAP70ALKROS1EGFRINSR
SCHEMBL11916464 0.88 ALK (0.72) ZAP70ALKROS1EGFRINSR
SCHEMBL11916508 0.88 ALK (0.70) ZAP70ALKROS1EGFRINSR
SCHEMBL11916442 0.88 ALK (0.73) ZAP70ALKROS1EGFRINSR
SCHEMBL11916483 0.88 ZAP70 (0.64) ZAP70ALKROS1EGFRINSR
SCHEMBL11916468 0.88 ALK (0.74) ZAP70ALKROS1EGFRINSR
SCHEMBL11916576 0.87 ALK (0.70) ZAP70ALKROS1EGFRINSR
SCHEMBL19196319 0.86 ZAP70 (0.74) ZAP70ALKROS1EGFRINSR

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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 — — 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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ZAP70 587/4885ALK 256/4885ROS1 395/4885

“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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