SCHEMBL15711178

SCHEMBL15711178

CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ SRC P12931 5/20 0.47
▸ EGFR P00533 3/20 0.47
▸ HTR6 P50406 1/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ ABL2 P42684 2/20 0.41
▸ USP30 Q70CQ3 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ PIK3CD O00329 2/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ PARP2 Q9UGN5 2/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ STS P08842 1/20 0.39
▸ CCR5 P51681 1/20 0.39

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
SCHEMBL15171143 1.00 JAK2 (0.49) JAK2JAK1SRCEGFRHTR6
SCHEMBL15171260 0.95 HTR6 (0.46) JAK2JAK1SRCEGFRHTR6
SCHEMBL16341186 0.95 HTR6 (0.46) JAK2JAK1SRCEGFRHTR6
SCHEMBL31626148 0.94 JAK1 (0.42) JAK2JAK1SRCEGFRHTR6
SCHEMBL14797959 0.94 JAK1 (0.42) JAK2JAK1SRCEGFRHTR6
SCHEMBL30760777 0.91 JAK2 (0.44) JAK2JAK1SRCEGFRHTR6
SCHEMBL30760906 0.91 JAK2 (0.44) JAK2JAK1SRCEGFRHTR6
SCHEMBL30760907 0.91 JAK2 (0.44) JAK2JAK1SRCEGFRHTR6
SCHEMBL30760762 0.91 JAK2 (0.44) JAK2JAK1SRCEGFRHTR6
SCHEMBL18644664 0.88 JAK2 (0.49) JAK2JAK1SRCEGFRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 — — CN disclosed
CN-115304606-A Degradation agent for simultaneously targeting BTK and GSPT1 proteins 清华大学 2022-11-08 — — CN disclosed
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
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 — — US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 — — 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 (4 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-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK JAK2 14/4885JAK1 28/4885SRC 22/4885
US-10314844-B2 Inhibitors of Bruton's tyrosine kinase BTK, ABL1, LYN JAK2 33/4885JAK1 46/4885SRC 8/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK JAK2 14/4885JAK1 28/4885SRC 22/4885
US-20180243311-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, LYN JAK2 33/4885JAK1 46/4885SRC 8/4885

“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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