SCHEMBL16670523

SCHEMBL16670523

N#CN1CCC(Nc2cnc(Oc3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 11/20 0.55
BTK Q06187 6/20 0.47
UCHL1 P09936 1/20 0.47
SYK P43405 1/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSS P25774 1/20 0.44
CTSC P53634 1/20 0.44
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
CTSK P43235 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
SCHEMBL16670632 0.95 USP30 (0.56) USP30BTKSYKEGFRSRC
SCHEMBL16670584 0.94 USP30 (0.49) USP30BTKUCHL1SYKEGFR
SCHEMBL16670853 0.86 BTK (0.49) USP30BTKEGFRSRC
SCHEMBL28281435 0.86 BTK (0.56) BTKSYKEGFR
SCHEMBL16671206 0.84 SYK (0.52) BTKSYKEGFR
SCHEMBL16676748 0.83 BTK (0.69) BTKEGFR
SCHEMBL16670717 0.82 BTK (0.48) USP30BTKEGFRSRC
SCHEMBL28281462 0.81 BTK (0.46) BTKSYK
SCHEMBL16669957 0.81 BTK (0.51) USP30BTKSYK
SCHEMBL18044968 0.81 BTK (0.57) BTKSYKEGFR

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 11 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
CN-105939998-B Heteroaryl compound and application thereof as BTK inhibitor 默克专利有限公司 2019-04-16 CN 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
CN-105939998-A Heteroaryl compounds as btk inhibitors and uses thereof 默克专利有限公司 2016-09-14 CN 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 3175/4885BTK 1/4885UCHL1 4526/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK USP30 3175/4885BTK 1/4885UCHL1 4526/4885

“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.