SCHEMBL17645967

SCHEMBL17645967

CC(C)(C)OC(=O)NC1(c2ccc(-c3ccnc(N)c3N)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.37
▸ ALOX5AP P20292 6/20 0.37
▸ FEN1 P39748 6/20 0.37
▸ CYP17A1 P05093 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ PDE2A O00408 3/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ AAK1 Q2M2I8 2/20 0.33
▸ KIT P10721 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
SCHEMBL17660339 0.87 AKT1 (0.34) AKT1ALOX5APFEN1CYP17A1MAP4K4
SCHEMBL17645678 0.83 AKT1 (0.48) AKT1CYP17A1MAP4K4PDE2AKIT
SCHEMBL30950557 0.77 BTK (0.43) ALOX5APFEN1BDKRB1
SCHEMBL17645694 0.77 BTK (0.43) ALOX5APFEN1BDKRB1
SCHEMBL17645689 0.75 BTK (0.46) —
SCHEMBL34469713 0.74 AAK1 (0.45) PDE2AHDAC2HDAC1BACE1AAK1
SCHEMBL5517439 0.74 AAK1 (0.45) PDE2AHDAC2HDAC1BACE1AAK1
SCHEMBL17660340 0.71 AKT1 (0.44) AKT1MAP4K4PDE2AKIT
SCHEMBL34470168 0.71 EGLN2 (0.35) AKT1CYP17A1PDE2ABDKRB1EGLN2
SCHEMBL28889626 0.70 DPP8 (0.41) AKT1PDE2AHDAC2HDAC1BACE1

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 11 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-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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 — — EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
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
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 AKT1 209/4885ALOX5AP 3157/4885FEN1 3034/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN AKT1 265/4885ALOX5AP 3107/4885FEN1 3060/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN AKT1 209/4885ALOX5AP 3157/4885FEN1 3034/4885

“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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