SCHEMBL2279669

SCHEMBL2279669

OCCn1cnc(-c2ccc(Br)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
MTOR P42345 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
AHR P35869 4/20 0.36
CYP1A2 P05177 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AOC3 Q16853 2/20 0.35

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
SCHEMBL29813624 0.83 HDAC1 (0.52) HDAC1HDAC6MTORNPC1RAB9A
SCHEMBL15489049 0.83 MTOR (0.39) HDAC1HDAC6MTORCYP2D6NPC1
SCHEMBL5015454 0.81 MAP4K4 (0.38) HDAC1HDAC6MTOR
SCHEMBL10308887 0.80 TP53 (0.44) HDAC1HDAC6MTORCYP1A2NPC1
SCHEMBL18113986 0.79 HDAC1 (0.39) HDAC1HDAC6AHRNPC1NFKB1
SCHEMBL2279055 0.79 NR1H2 (0.45) HDAC1HDAC6AHRNPC1NFKB1
SCHEMBL25423442 0.79 HDAC1 (0.42) HDAC1HDAC6AHRNPC1NFKB1
SCHEMBL25422537 0.78 L3MBTL1 (0.39) HDAC1HDAC6CYP2D6CYP2C19DUSP3
SCHEMBL2280831 0.76 HDAC1 (0.38) HDAC1HDAC6AHRNPC1NFKB1
SCHEMBL12374015 0.76 HDAC1 (0.40) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849053-B Spiro compounds 里科瑞尔姆IP控股有限责任公司 2020-10-30 CN disclosed
US-20200268714-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
US-20200268714-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
EP-3277690-B1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2020-02-26 EP disclosed
EP-3277690-B1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2020-02-26 EP disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
CN-102015693-B Compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-29 CN disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
CN-102015693-A Compounds as ERK inhibitors SCHERING CORP 2011-04-13 CN disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 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 (4 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-20200268714-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HDAC1 43/4885HDAC6 15/4885MTOR 311/4885
US-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HDAC1 43/4885HDAC6 15/4885MTOR 311/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 HDAC1 230/4885HDAC6 563/4885MTOR 74/4885
US-20180207132-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 HDAC1 43/4885HDAC6 15/4885MTOR 311/4885

“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.