SCHEMBL17660340

SCHEMBL17660340

CC(C)(C)OC(=O)NC1(c2ccc(-c3ccnc(N)c3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.44
▸ PRMT1 Q99873 1/20 0.35
▸ PDE2A O00408 4/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ BTK Q06187 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL17645678 0.86 AKT1 (0.48) AKT1PDE2AAKT2BTKCNR1
SCHEMBL17660339 0.85 AKT1 (0.34) AKT1PRMT1PDE2AMAP4K4CCNT1
SCHEMBL4093183 0.76 MAPT (0.45) AKT1PDE2AALOX5RORCMEN1
SCHEMBL4087871 0.73 AKT1 (0.43) AKT1PDE2AAKT2CNR1CNR2
SCHEMBL28590955 0.73 BTK (0.43) BTKMEN1MAPTKMT2A
SCHEMBL30950456 0.72 BTK (0.40) BTK
SCHEMBL17660343 0.72 BTK (0.40) BTK
SCHEMBL1141689 0.72 AKT1 (0.36) AKT1PDE2AAKT2CNR1CNR2
SCHEMBL17109514 0.72 MAPT (0.43) AKT1PDE2AAKT2ALOX5RORC
SCHEMBL25156379 0.71 AKT1 (0.51) AKT1PDE2AAKT2CNR1CNR2

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 209/4885PRMT1 2675/4885PDE2A 1804/4885

“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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