SCHEMBL22659628

SCHEMBL22659628

Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1CNC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CXCR2 P25025 3/20 0.33
▸ KLKB1 P03952 1/20 0.32
▸ P2RX7 Q99572 1/20 0.31
▸ LIPE Q05469 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ RXRA P19793 2/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25241808 0.91 ROCK1 (0.37) ROCK1RAB9ACXCR2KLKB1P2RX7
SCHEMBL23303824 0.87 P2RX7 (0.34) ROCK1CXCR2KLKB1P2RX7
SCHEMBL22664611 0.85 PRMT5 (0.45) CA1CA2CA9
SCHEMBL25832761 0.83 JAK2 (0.34) ROCK1CXCR2JAK2BTKLIPG
SCHEMBL29710536 0.80 HPGD (0.52) NPC1P2RX7KDM4E
SCHEMBL20472661 0.79 CXCR2 (0.48) ROCK1CXCR2P2RX7LIPG
SCHEMBL25209501 0.78 P2RX7 (0.38) ROCK1CXCR2P2RX7CA1CA2
SCHEMBL24802261 0.78 BTK (0.43) BTKKDM4E
SCHEMBL23304093 0.78 ROCK1 (0.33) ROCK1P2RX7CA1CA2CA9
SCHEMBL20839950 0.76 CXCR2 (0.39) ROCK1CXCR2P2RX7LIPEJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793994-B1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2023-08-23 — — EP disclosed
EP-3793994-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2021-03-24 — — EP disclosed
US-10899753-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2021-01-26 — — US disclosed
WO-2020232330-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2020-11-19 — — 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 (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-10899753-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN ROCK1 450/4885RAB9A 2275/4885NPC1 4112/4885

“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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