SCHEMBL18687397

SCHEMBL18687397

CC(C)(C)OC(=O)Nc1cccc(-n2c(NC(=O)c3ccns3)nc3cc(CO[Si](C)(C)C(C)(C)C)ccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 5/20 0.44
▸ TEC P42680 5/20 0.44
▸ TXK P42681 4/20 0.43
▸ EGFR P00533 1/20 0.37
▸ BTK Q06187 1/20 0.35
▸ IRAK1 P51617 3/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ MAP3K7 O43318 2/20 0.35
▸ ACSS2 Q9NR19 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL18687394 0.90 ITK (0.47) ITKTECTXKEGFRBTK
SCHEMBL18688111 0.87 TEC (0.58) ITKTECTXKEGFRBTK
SCHEMBL18687507 0.86 TEC (0.60) ITKTECTXKBTK
SCHEMBL22764122 0.85 TXK (0.49) ITKTECTXKEGFRIRAK1
SCHEMBL21725695 0.82 ACSS2 (0.39) ITKTECTXKACSS2ATM
SCHEMBL18688109 0.76 TEC (0.62) ITKTECTXKEGFRBTK
SCHEMBL18687502 0.75 TEC (0.65) ITKTECTXKBTK
SCHEMBL18687396 0.75 ITK (0.58) ITKTECTXKEGFRBTK
SCHEMBL18687505 0.74 TXK (0.52) ITKTECTXKEGFRIRAK1
SCHEMBL18687534 0.73 ITK (0.79) ITKTECTXKEGFRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS GB005 INC (US) 2020-12-10 — — US disclosed
US-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors GB005, INC. (US) 2020-02-18 — — US disclosed
WO-2017049401-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS PHARMASCIENCE INC. (CA) 2017-03-30 — — 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 (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-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors BMX, TEC, BTK ITK 4/4885TEC 2/4885TXK 10/4885
US-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS BMX, TEC, BTK ITK 4/4885TEC 2/4885TXK 9/4885

“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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