SCHEMBL20540228

SCHEMBL20540228

Cc1cc(Nc2nc(NC3CCC(NC(=O)C4CCOCC4)CC3)cnc2C(N)=O)sn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.57
▸ LCK P06239 4/20 0.48
▸ JAK3 P52333 4/20 0.48
▸ IRAK4 Q9NWZ3 8/20 0.41
▸ CCNT1 O60563 1/20 0.40
▸ CCNK O75909 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ PDGFRB P09619 3/20 0.39
▸ PDGFRA P16234 3/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ PRKD3 O94806 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
SCHEMBL20540750 0.91 BTK (0.63) BTKLCKJAK3IRAK4PDGFRB
SCHEMBL23081042 0.85 BTK (0.65) BTKLCKJAK3IRAK4CCNT1
SCHEMBL18283648 0.85 BTK (0.65) BTKLCKJAK3IRAK4CCNT1
SCHEMBL18296114 0.85 BTK (0.65) BTKLCKJAK3IRAK4CCNT1
SCHEMBL20540052 0.84 BTK (0.67) BTKLCKJAK3IRAK4PDGFRB
SCHEMBL18283458 0.84 BTK (0.67) BTKLCKJAK3IRAK4PDGFRB
SCHEMBL18296115 0.84 BTK (0.67) BTKLCKJAK3IRAK4PDGFRB
SCHEMBL20539916 0.82 BTK (0.60) BTKLCKJAK3IRAK4PDGFRB
SCHEMBL18284037 0.82 BTK (0.60) BTKLCKJAK3IRAK4PDGFRB
SCHEMBL23080941 0.82 BTK (0.60) BTKLCKJAK3IRAK4PDGFRB

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 — — 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK BTK 1/4885LCK 3/4885JAK3 64/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK BTK 1/4885LCK 3/4885JAK3 64/4885

“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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