SCHEMBL17664633

SCHEMBL17664633

Cc1cc(CNC(=O)OC(C)(C)C)c(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ AAK1 Q2M2I8 2/20 0.37
▸ RPS6KA1 Q15418 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ KDM4A O75164 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL25574986 0.91 PRMT5 (0.46) PRMT5WDR77AAK1RPS6KA1BACE1
SCHEMBL22664611 0.87 PRMT5 (0.45) PRMT5WDR77AAK1RPS6KA1BACE1
SCHEMBL21455530 0.82 PRMT5 (0.45) PRMT5WDR77AAK1RPS6KA1BACE1
SCHEMBL29840292 0.81 PRMT5 (0.44) PRMT5WDR77AAK1RPS6KA1BACE1
SCHEMBL23336679 0.81 PRMT5 (0.44) PRMT5WDR77AAK1RPS6KA1BACE1
SCHEMBL30352433 0.81 PRMT5 (0.40) PRMT5WDR77AAK1RPS6KA1BACE1
SCHEMBL29903067 0.81 PRMT5 (0.48) PRMT5WDR77AAK1RPS6KA1KDM4A
SCHEMBL24502715 0.81 PRMT5 (0.48) PRMT5WDR77AAK1RPS6KA1KDM4A
SCHEMBL1290158 0.81 PRMT5 (0.57) PRMT5WDR77AAK1RPS6KA1BACE1
SCHEMBL3490524 0.81 PRMT5 (0.57) PRMT5WDR77AAK1RPS6KA1BACE1

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-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN PRMT5 2178/4885WDR77 2056/4885AAK1 943/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN PRMT5 2913/4885WDR77 1817/4885AAK1 856/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN PRMT5 2178/4885WDR77 2056/4885AAK1 943/4885

“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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