SCHEMBL6967172

SCHEMBL6967172

CC(C)C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.49
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP2D6 P10635 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL28310179 0.85 APLNR (0.47) APLNRCA1CA2CA7GAA
SCHEMBL29396741 0.83 APLNR (0.46) APLNRCA1CA2CA7GAA
SCHEMBL284141 0.83 APLNR (0.55) APLNRCA1CA2CA7GAA
SCHEMBL23480890 0.79 APLNR (0.42) APLNRCA1CA2CA7GAA
SCHEMBL11525177 0.79 MEN1 (0.56) APLNRCA1CA2CA7GAA
SCHEMBL4045977 0.77 MEN1 (0.46) APLNRCA1CA2CA7GAA
SCHEMBL12989511 0.77 GAA (0.39) GAAKMT2ALMNA
SCHEMBL24514107 0.77 APLNR (0.50) APLNRCA1CA2CA7GAA
SCHEMBL25286426 0.76 CTSK (0.44) APLNRCA1CA2CA7CTSS
SCHEMBL17756107 0.76 APLNR (0.44) APLNRCA1CA2CA7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4420732-A2 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2024-08-28 EP disclosed
EP-3233863-B1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG PHARMACEUTICAL CO LTD (KR) 2024-04-10 EP disclosed
CN-107207514-B Fused heteroaryl compounds and their use as TRK inhibitors 康联制药有限公司 2020-01-24 CN disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
EP-3233863-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG Pharmaceutical Co., Ltd. (KR) 2017-10-25 EP disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 US disclosed
US-9701681-B2 Fused ring heteroaryl compounds and their use as Trk inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-07-11 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 US disclosed
WO-2016097869-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS CMG PHARMACEUTICAL CO., LTD. (KR) 2016-06-23 WO disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 US disclosed
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS HANDOK INC. (KR) 2016-06-16 US disclosed
WO-2011148922-A1 NOVEL QUINAZOLINE COMPOUND 田辺三菱製薬株式会社 (JP) 2011-12-01 WO disclosed
EP-1200432-A4 AMIDO SPIROPIPERIDINES PROMOTE THE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2003-01-29 EP disclosed
EP-1200432-A1 AMIDO SPIROPIPERIDINES PROMOTE THE RELEASE OF GROWTH HORMONE Merck & Co., Inc. (US) 2002-05-02 EP disclosed
WO-2001004119-A1 AMIDO SPIROPIPERIDINES PROMOTE THE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 2001-01-18 WO disclosed
WO-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 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-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 APLNR 4707/4885CA1 4863/4885CA2 4249/4885
US-20160168156-A1 FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS NR4A3, NR4A1, NR3C1 APLNR 3036/4885CA1 4578/4885CA2 3942/4885

“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.