SCHEMBL2279055

SCHEMBL2279055

CCn1cnc(-c2ccc(Br)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
AHR P35869 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
NFKB1 P19838 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
LMNA P02545 2/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11996733 0.84 LRRK2 (0.38) HDAC1HDAC6AHRSMN1; SMN2NPC1
SCHEMBL18113986 0.82 HDAC1 (0.39) NR1H2NR1H3HDAC1HDAC6AHR
SCHEMBL8830140 0.81 HDAC1 (0.49) NR1H2NR1H3HDAC1HDAC6SMN1; SMN2
SCHEMBL2279669 0.79 HDAC1 (0.40) HDAC1HDAC6AHRSMN1; SMN2NPC1
SCHEMBL11994457 0.79 LMNA (0.41) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL2280831 0.79 HDAC1 (0.38) NR1H2NR1H3HDAC1HDAC6AHR
SCHEMBL25423442 0.78 HDAC1 (0.42) HDAC1HDAC6AHRSMN1; SMN2NPC1
SCHEMBL25421879 0.78 HDAC1 (0.37) NR1H2NR1H3HDAC1HDAC6AHR
SCHEMBL12369761 0.76 HPGDS (0.37) HDAC1HDAC6NPC1RAB9A
SCHEMBL2276295 0.76 AOC3 (0.48) NR1H2NR1H3AHRSMN1; SMN2NPC1

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
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
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP 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 NR1H2 16/4885NR1H3 14/4885HDAC1 43/4885
US-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 NR1H2 16/4885NR1H3 14/4885HDAC1 43/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 NR1H2 1153/4885NR1H3 1278/4885HDAC1 230/4885
US-20180207132-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 NR1H2 16/4885NR1H3 14/4885HDAC1 43/4885

“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.