SCHEMBL6525725

SCHEMBL6525725

CC(C)(C)OC(=O)N(N)CC(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
APLNR P35414 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL854273 0.82 HDAC6 (0.35) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL18290052 0.81 MAPK1 (0.34) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL14976012 0.79 CA14 (0.37) CA14HDAC6APLNRHDAC1HDAC2
SCHEMBL1760208 0.77 HDAC6 (0.35) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL29746689 0.76 CA14 (0.40) CA14HDAC6APLNRHDAC1HDAC2
SCHEMBL12778070 0.75 HDAC6 (0.38) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL1025291 0.75 HDAC6 (0.38) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL20866073 0.74 CA14 (0.31) CA14HDAC6APLNRHDAC1HDAC2
SCHEMBL2713441 0.73 HDAC6 (0.35) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL31361087 0.73 CA14 (0.44) CA14HDAC6APLNRHDAC1HDAC2

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
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
CN-115838375-A Pyrimido-dihydro-pyrazolone derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-03-24 CN disclosed
EP-3572413-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-11-03 EP disclosed
EP-2473510-B1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL MYERS SQUIBB CO (US) 2014-07-23 EP disclosed
EP-2473510-B1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL MYERS SQUIBB CO (US) 2014-07-23 EP disclosed
US-8673933-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8673933-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8673933-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-20130225551-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL-MYERS SQUIBB COMPANY 2013-08-29 US disclosed
US-20130225551-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL-MYERS SQUIBB COMPANY 2013-08-29 US disclosed
US-20130225551-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL-MYERS SQUIBB COMPANY 2013-08-29 US disclosed
US-8202881-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MEYERS SQUIBB COMPANY (US) 2012-06-19 US disclosed
US-8202881-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MEYERS SQUIBB COMPANY (US) 2012-06-19 US disclosed
US-8202881-B2 JAK2 inhibitors and their use for the treatment of myeloproliferative diseases and cancer BRISTOL-MEYERS SQUIBB COMPANY (US) 2012-06-19 US disclosed
US-20110059943-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-03-10 US disclosed
US-20110059943-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-03-10 US disclosed
US-20110059943-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER BRISTOL-MYERS SQUIBB COMPANY 2011-03-10 US 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-20110059943-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER JAK2, JAK1, JAK3 CA14 4400/4885HDAC6 852/4885APLNR 3036/4885
US-20130225551-A1 JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER JAK2, JAK1, JAK3 CA14 4400/4885HDAC6 852/4885APLNR 3036/4885

“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.