SCHEMBL16670425

SCHEMBL16670425

CC(C)(C)OC(=O)N1CCN(c2ncc(C(N)=O)c(Oc3ccc(Oc4ccccc4)cc3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.59
BTK Q06187 2/20 0.50
ACHE P22303 2/20 0.49
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
GPR119 Q8TDV5 7/20 0.47
MAPT P10636 1/20 0.44
SLC6A7 Q99884 1/20 0.43
PARP1 P09874 1/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL28881815 0.84 BTK (0.70) PTPN11BTKCKS1BSKP1SKP2
SCHEMBL16671225 0.83 BTK (0.71) BTKSLC6A7
SCHEMBL30422880 0.82 PTPN11 (0.55) PTPN11ACHECKS1BSKP1SKP2
SCHEMBL31148409 0.82 PTPN11 (0.55) PTPN11ACHECKS1BSKP1SKP2
SCHEMBL16676723 0.81 BTK (0.48) BTKSLC6A7
SCHEMBL16671473 0.80 BTK (0.67) BTK
Hydrochloric Acid SCHEMBL16670652 0.80 BTK (0.48) BTKSLC6A7
SCHEMBL16670692 0.80 HPGDS (0.46) BTKPARP1
SCHEMBL16671267 0.79 TNK2 (0.46) PTPN11BTK
SCHEMBL16670316 0.78 BTK (0.49) BTKPARP1

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 PTPN11 74/4885BTK 1/4885ACHE 3957/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK PTPN11 74/4885BTK 1/4885ACHE 3957/4885

“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.