SCHEMBL17660370

SCHEMBL17660370

Cc1c(CNC(=O)OC(C)(C)C)cccc1-c1ccnc(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.42
▸ EPHX1 P07099 2/20 0.39
▸ RPS6KA1 Q15418 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ MAPKAPK2 P49137 2/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ BTK Q06187 1/20 0.35

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
SCHEMBL17664647 0.86 KCNA5 (0.39) KCNA5EPHX1RPS6KA1BRD4MAPKAPK2
SCHEMBL17664695 0.80 GRM2 (0.36) KCNA5BRD4HDAC1MAPKAPK2KDM4A
SCHEMBL17681842 0.80 BTK (0.42) KCNA5MAPKAPK2AKT1KDM4AL3MBTL1
SCHEMBL18300396 0.78 KLKB1 (0.46) KCNA5BRD4HDAC1MAPKAPK2NAMPT
SCHEMBL6676878 0.77 KCNA5 (0.46) KCNA5RPS6KA1HDAC1NAMPTKDM4A
SCHEMBL30950557 0.77 BTK (0.43) BTK
SCHEMBL17645694 0.77 BTK (0.43) BTK
SCHEMBL30344301 0.74 KCNA5 (0.47) KCNA5RPS6KA1NAMPTKDM4ANQO2
SCHEMBL24352757 0.73 KCNA5 (0.55) KCNA5HDAC1AKT1NAMPTKDM4A
SCHEMBL21481526 0.72 KCNA5 (0.45) KCNA5HDAC1AKT1NAMPTKDM4A

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 6 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US 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

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 KCNA5 2517/4885EPHX1 2450/4885RPS6KA1 711/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN KCNA5 2935/4885EPHX1 2447/4885RPS6KA1 658/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN KCNA5 2517/4885EPHX1 2450/4885RPS6KA1 711/4885

“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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