SCHEMBL423159

SCHEMBL423159

CC(C)(C)OC(=O)NC1CCCC1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
GAA P10253 2/20 0.42
EPHX1 P07099 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CTSK P43235 2/20 0.40
KDM1A O60341 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL765127 1.00 BTK (0.54) BTKCA1CA2MMP2MMP9
SCHEMBL463104 1.00 BTK (0.54) BTKCA1CA2MMP2MMP9
SCHEMBL13378791 1.00 BTK (0.54) BTKCA1CA2MMP2MMP9
SCHEMBL741725 1.00 BTK (0.54) BTKCA1CA2MMP2MMP9
SCHEMBL6419498 1.00 BTK (0.54) BTKCA1CA2MMP2MMP9
SCHEMBL11888179 1.00 BTK (0.54) BTKCA1CA2MMP2MMP9
SCHEMBL1859917 1.00 BTK (0.54) BTKCA1CA2MMP2MMP9
SCHEMBL8305523 1.00 BTK (0.54) BTKCA1CA2MMP2MMP9
Hydrochloric Acid SCHEMBL28365645 0.98 BTK (0.53) BTKCA1CA2MMP2MMP9
Hydrochloric Acid SCHEMBL28365644 0.98 BTK (0.53) BTKCA1CA2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268367-B1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2022-10-05 EP disclosed
EP-3923947-A1 FGFR INHIBITORS FOR THE TREATMENT OF CANCER Bridgene Biosciences, Inc. (US) 2021-12-22 EP disclosed
WO-2020168237-A1 FGFR INHIBITORS FOR THE TREATMENT OF CANCER BRIDGENE BIOSCIENCES, INC. (US) 2020-08-20 WO disclosed
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed
EP-3074389-B1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2019-08-14 EP disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-10155765-B2 Carboxamide inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-12-18 US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 US disclosed
EP-3386991-A1 POLYCYCLIC COMPOUNDS AS INHIBITORS OF BRUTON'S TYROSINE KINASE Janssen Pharmaceutica NV (BE) 2018-10-17 EP disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
WO-2006111549-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-26 WO disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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 (8 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 BTK 1597/4885CA1 2993/4885CA2 2889/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 BTK 1356/4885CA1 1171/4885CA2 4301/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD BTK 695/4885CA1 232/4885CA2 1540/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 BTK 710/4885CA1 309/4885CA2 1299/4885
US-10155765-B2 Carboxamide inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 BTK 72/4885CA1 3958/4885CA2 2722/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 BTK 252/4885CA1 3327/4885CA2 1797/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 BTK 252/4885CA1 3327/4885CA2 1797/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 BTK 1123/4885CA1 3944/4885CA2 3222/4885

“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.