SCHEMBL17584945

SCHEMBL17584945

CC#CC(=O)N1CCCC1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)ncnn12

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.78
▸ TEC P42680 2/20 0.78
▸ TXK P42681 2/20 0.78
▸ BMX P51813 2/20 0.78
▸ EGFR P00533 1/20 0.78
▸ ERBB2 P04626 1/20 0.78
▸ ADORA3 P0DMS8 1/20 0.78
▸ PTGS2 P35354 1/20 0.78
▸ KDR P35968 1/20 0.78
▸ BLK P51451 1/20 0.78
▸ JAK3 P52333 1/20 0.78
▸ ITK Q08881 1/20 0.78
▸ ERBB4 Q15303 1/20 0.78
▸ GP6 Q9HCN6 1/20 0.78
▸ LCK P06239 1/20 0.67

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
Acalabrutinib SCHEMBL14637370 0.87 BTK (1.00) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL30193365 0.87 BTK (1.00) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL29376537 0.87 BTK (1.00) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL17842601 0.87 BTK (1.00) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL31756796 0.87 BTK (1.00) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL14637368 0.87 BTK (1.00) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL18423041 0.86 BTK (0.97) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL18423036 0.86 BTK (0.97) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL18422158 0.85 BTK (0.96) BTKTECTXKBMXEGFR
Acalabrutinib SCHEMBL18422160 0.85 BTK (0.96) BTKTECTXKBMXEGFR

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-20160074409-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2016-03-17 — — US disclosed
US-20160074409-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2016-03-17 — — 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-20160074409-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885TEC 4674/4885TXK 4466/4885

“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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