SCHEMBL16670361

SCHEMBL16670361

COC(=O)c1cc(NC2CCN(C(=O)OC(C)(C)C)C2)cnc1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.49
ALDH1A1 P00352 2/20 0.48
BTK Q06187 5/20 0.46
PIK3CA P42336 1/20 0.44
PIK3CD O00329 2/20 0.43
MET P08581 1/20 0.42
BRD4 O60885 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL16676644 0.95 USP30 (0.47) USP30ALDH1A1BTK
SCHEMBL16671029 0.95 ALDH1A1 (0.55) USP30ALDH1A1BTKPIK3CANPC1
SCHEMBL28106080 0.93 USP30 (0.50) USP30ALDH1A1BTKPIK3CAPIK3CD
SCHEMBL16676817 0.92 ALDH1A1 (0.44) USP30ALDH1A1BTKPIK3CAPIK3CD
SCHEMBL16669957 0.92 BTK (0.51) USP30ALDH1A1BTKPIK3CAMET
SCHEMBL16676760 0.88 GFER (0.43) USP30ALDH1A1BTK
SCHEMBL16676659 0.87 ALDH1A1 (0.50) ALDH1A1PIK3CANPC1MAPTMAPK1
SCHEMBL16670660 0.87 PARP1 (0.47) USP30BTK
SCHEMBL16670620 0.86 ALDH1A1 (0.52) USP30ALDH1A1BTKNPC1MAPT
SCHEMBL16670047 0.84 PARP1 (0.44) USP30ALDH1A1BTKPIK3CAPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO 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 (2 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK USP30 3175/4885ALDH1A1 4570/4885BTK 1/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK USP30 3175/4885ALDH1A1 4570/4885BTK 1/4885

“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.