SCHEMBL24145488

SCHEMBL24145488

Cn1c(=O)ccc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 9/20 0.40
JAK2 O60674 3/20 0.39
BTK Q06187 3/20 0.39
BRD4 O60885 3/20 0.37
BRD9 Q9H8M2 3/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KAT2B Q92831 1/20 0.37
ALOX5 P09917 5/20 0.32
BRD1 O95696 3/20 0.32
BRPF3 Q9ULD4 2/20 0.32
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL21645492 0.82 BRPF1 (0.45) BRPF1BRD4BRD9CA12CA9
SCHEMBL22290891 0.80 BRPF1 (0.45) BRPF1BRD4BRD9CA12CA9
SCHEMBL16364676 0.79 JAK2 (0.37) JAK2BTKLPLLIPGIRAK4
SCHEMBL4562321 0.76 BRPF1 (0.50) BRPF1BRD4BRD9CA12CA9
SCHEMBL31149544 0.76 BRPF1 (0.50) BRPF1BRD4BRD9CA12CA9
SCHEMBL17419151 0.74 JAK2 (0.36) JAK2BTK
SCHEMBL18239701 0.73 JAK2 (0.37) JAK2BTKLPLLIPG
SCHEMBL21871447 0.72 IRAK4 (0.38) JAK2BTKIRAK4
SCHEMBL1646761 0.72 LPL (0.44) JAK2BTKCA9LPLLIPG
SCHEMBL15191712 0.71 LPL (0.49) JAK2BTKCA9LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 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 (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-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 BRPF1 1405/4885JAK2 2797/4885BTK 2233/4885

“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.