SCHEMBL16670620

SCHEMBL16670620

CC(C)(C)OC(=O)N1CCC(Nc2cnc(Oc3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BTK Q06187 5/20 0.47
SYK P43405 1/20 0.47
PARP1 P09874 2/20 0.44
USP30 Q70CQ3 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
PTPN11 Q06124 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
PRMT5 O14744 1/20 0.42
POLB P06746 1/20 0.42
TNK2 Q07912 1/20 0.42

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
SCHEMBL16669957 0.95 BTK (0.51) ALDH1A1BTKSYKPARP1USP30
SCHEMBL16671105 0.92 ALDH1A1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16671029 0.91 ALDH1A1 (0.55) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16670660 0.90 PARP1 (0.47) BTKSYKPARP1USP30
SCHEMBL16671206 0.88 SYK (0.52) HTTBTKSYK
SCHEMBL28106080 0.88 USP30 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16670047 0.87 PARP1 (0.44) ALDH1A1BTKPARP1USP30
SCHEMBL28106076 0.87 SYK (0.47) BTKSYK
SCHEMBL16670361 0.86 USP30 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16670321 0.85 BTK (0.47) MAPTBTKGPR119POLBTNK2

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 9 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
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 ALDH1A1 4570/4885NPC1 4487/4885MAPT 4273/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK ALDH1A1 4570/4885NPC1 4487/4885MAPT 4273/4885

“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.