SCHEMBL20480936

SCHEMBL20480936

CC(C)(C)OC(=O)N1CC2(CC(n3c(=O)[nH]c4c(N(Cc5ccccc5)Cc5ccccc5)ncnc43)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ CCR5 P51681 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PTPRB P23467 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KRAS P01116 1/20 0.35
▸ STS P08842 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PARP1 P09874 2/20 0.35

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
SCHEMBL14797959 0.91 JAK1 (0.42) JAK1JAK2CCR5HTR6EGFR
SCHEMBL31626148 0.91 JAK1 (0.42) JAK1JAK2CCR5HTR6EGFR
SCHEMBL15711178 0.88 JAK2 (0.49) JAK1JAK2CCR5HTR6EGFR
SCHEMBL15171143 0.88 JAK2 (0.49) JAK1JAK2CCR5HTR6EGFR
SCHEMBL16341186 0.87 HTR6 (0.46) JAK1JAK2HTR6EGFRSRC
SCHEMBL15171260 0.87 HTR6 (0.46) JAK1JAK2HTR6EGFRSRC
SCHEMBL30760928 0.86 JAK2 (0.40) JAK1JAK2CCR5HTR6EGFR
SCHEMBL30760831 0.86 JAK2 (0.40) JAK1JAK2CCR5HTR6EGFR
SCHEMBL30760906 0.83 JAK2 (0.44) JAK1JAK2HTR6EGFRSRC
SCHEMBL30760777 0.83 JAK2 (0.44) JAK1JAK2HTR6EGFRSRC

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-10314844-B2 Inhibitors of Bruton's tyrosine kinase GILEAD SCIENCES, INC. (US) 2019-06-11 — — US disclosed
US-20180243311-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE GILEAD SCIENCES, INC. 2018-08-30 — — 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-10314844-B2 Inhibitors of Bruton's tyrosine kinase BTK, ABL1, LYN JAK1 46/4885JAK2 33/4885CCR5 1439/4885
US-20180243311-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, LYN JAK1 46/4885JAK2 33/4885CCR5 1439/4885

“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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