SCHEMBL941563

SCHEMBL941563

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](CO)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.64
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX1 P07099 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
GAA P10253 1/20 0.44
CTSK P43235 2/20 0.43
DRD2 P14416 2/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
NR1H2 P55055 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
KAT8 Q9H7Z6 3/20 0.39

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
SCHEMBL2377443 1.00 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL15909157 1.00 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL21027650 1.00 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL941984 1.00 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL25524123 1.00 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL25319683 1.00 BTK (0.64) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL14084772 0.97 BTK (0.60) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL3906349 0.91 BTK (0.55) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL19156343 0.91 BTK (0.55) BTKKMT2AL3MBTL1EPHX1CA1
SCHEMBL3903151 0.91 BTK (0.55) BTKKMT2AL3MBTL1EPHX1CA1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312557-A1 P2X3 MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2023-10-05 US disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
US-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity ARRIEN PHARMACEUTICALS LLC (US) 2021-07-06 US disclosed
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP disclosed
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2021-03-04 US disclosed
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 US disclosed
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF ARRIEN PHARMACEUTICALS LLC 2020-04-30 US disclosed
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-11-07 US disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 US disclosed
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 US disclosed
WO-2016058544-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2016-04-21 WO disclosed
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 WO disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 WO disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US disclosed
EP-2170843-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-04-07 EP disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 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 (12 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-11053221-B2 Substituted pyrimidines for inhibiting embryonic leucine zipper kinase activity MELK, TK1, DCK BTK 2370/4885KMT2A 962/4885L3MBTL1 4/4885
US-20230312557-A1 P2X3 MODULATORS P2RX3, P2RX2, P2RX6 BTK 3126/4885KMT2A 4284/4885L3MBTL1 4348/4885
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) CDK13, CDK3, CDK12 BTK 1478/4885KMT2A 1382/4885L3MBTL1 1537/4885
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 BTK 1407/4885KMT2A 1231/4885L3MBTL1 2232/4885
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 BTK 1877/4885KMT2A 1984/4885L3MBTL1 4880/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 BTK 1779/4885KMT2A 1283/4885L3MBTL1 2201/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 BTK 1478/4885KMT2A 1382/4885L3MBTL1 1537/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 BTK 1407/4885KMT2A 1231/4885L3MBTL1 2232/4885
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 BTK 1407/4885KMT2A 1231/4885L3MBTL1 2232/4885
US-20200131154-A1 PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF PAICS, MCL1, TP53 BTK 1354/4885KMT2A 784/4885L3MBTL1 276/4885
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 BTK 1407/4885KMT2A 1231/4885L3MBTL1 2232/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 BTK 1779/4885KMT2A 1283/4885L3MBTL1 2201/4885

“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.