SCHEMBL17660343

SCHEMBL17660343

CC(C)(C)OC(=O)NCc1ccc(-c2ccnc(N)c2[N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.40
▸ BDKRB1 P46663 6/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ GRM2 Q14416 1/20 0.38

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
SCHEMBL30950456 1.00 BTK (0.40) BTKBDKRB1ALOX5APFEN1GRM2
SCHEMBL17645694 0.86 BTK (0.43) BTKBDKRB1ALOX5APFEN1GRM2
SCHEMBL30950557 0.86 BTK (0.43) BTKBDKRB1ALOX5APFEN1GRM2
SCHEMBL17664694 0.86 GRM2 (0.34) ALOX5APFEN1GRM2
SCHEMBL17660352 0.84 EPHX2 (0.53) BTK
SCHEMBL30950537 0.80 BTK (0.61) BTK
SCHEMBL17660339 0.79 AKT1 (0.34) BDKRB1ALOX5APFEN1
SCHEMBL17664647 0.79 KCNA5 (0.39) —
SCHEMBL21207722 0.79 BTK (0.41) BTKBDKRB1ALOX5APFEN1GRM2
SCHEMBL24600491 0.77 BTK (0.48) BTKGRM2

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
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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 (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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885BDKRB1 928/4885ALOX5AP 3157/4885

“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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