SCHEMBL17645985

SCHEMBL17645985

CC(C)(C)OC(=O)N(Cc1ccc(-c2ccnc(N)c2N)cc1F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.37
▸ KIT P10721 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ BTK Q06187 8/20 0.33
▸ ALOX5AP P20292 4/20 0.33
▸ FEN1 P39748 4/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32
▸ P2RY1 P47900 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PIK3C3 Q8NEB9 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
SCHEMBL30950557 0.79 BTK (0.43) GRM2BTKALOX5APFEN1
SCHEMBL17645694 0.79 BTK (0.43) GRM2BTKALOX5APFEN1
SCHEMBL17660346 0.74 ALOX5AP (0.42) BTKALOX5APFEN1
SCHEMBL17645746 0.72 BTK (0.41) BTK
SCHEMBL17670765 0.71 BTK (0.41) BTKALOX5APFEN1
SCHEMBL17681842 0.69 BTK (0.42) GRM2BTKALOX5APFEN1
SCHEMBL17646014 0.69 EPHX2 (0.58) BTK
SCHEMBL17645967 0.69 AKT1 (0.37) KITALOX5APFEN1
SCHEMBL21207722 0.67 BTK (0.41) GRM2BTKALOX5APFEN1
SCHEMBL5773500 0.67 GRM2 (0.38) GRM2SSTR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 GRM2 4216/4885KIT 1188/4885SSTR4 4065/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN GRM2 4263/4885KIT 1083/4885SSTR4 4031/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN GRM2 4216/4885KIT 1188/4885SSTR4 4065/4885

“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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