SCHEMBL17660339

SCHEMBL17660339

CC(C)(C)OC(=O)NC1(c2ccc(-c3ccnc(N)c3[N+](=O)[O-])cc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ PDE2A O00408 3/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ ALOX5AP P20292 5/20 0.33
▸ FEN1 P39748 5/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ BDKRB1 P46663 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ BACE2 Q9Y5Z0 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.30
▸ KIT P10721 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
SCHEMBL17645967 0.87 AKT1 (0.37) AKT1PDE2ACYP17A1ALOX5APFEN1
SCHEMBL17660340 0.85 AKT1 (0.44) AKT1CCNT1CDK9PDE2APRMT1
SCHEMBL17660343 0.79 BTK (0.40) ALOX5APFEN1BDKRB1
SCHEMBL30950456 0.79 BTK (0.40) ALOX5APFEN1BDKRB1
SCHEMBL17645678 0.71 AKT1 (0.48) AKT1PDE2ACYP17A1MAP4K4KIT
SCHEMBL28590955 0.71 BTK (0.43) BDKRB1MAPT
SCHEMBL17645689 0.71 BTK (0.46) —
SCHEMBL5517439 0.70 AAK1 (0.45) PDE2ABACE1SMN1; SMN2AAK1
SCHEMBL34469713 0.70 AAK1 (0.45) PDE2ABACE1SMN1; SMN2AAK1
SCHEMBL17664694 0.70 GRM2 (0.34) CCNT1CDK9ALOX5APFEN1PRMT1

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 AKT1 209/4885CCNT1 2921/4885CDK9 450/4885

“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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