SCHEMBL2276312

SCHEMBL2276312

Cn1cnc(-c2ccc(Cl)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
PIK3CD O00329 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PCSK9 Q8NBP7 1/20 0.41
PPARA Q07869 1/20 0.41
CYP2A6 P11509 1/20 0.41
AOC3 Q16853 2/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
NOTUM Q6P988 1/20 0.38
PTGS2 P35354 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CASP3 P42574 1/20 0.36
NAPRT Q6XQN6 1/20 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
SCHEMBL22230009 0.80 PCSK9 (0.42) CHRNB2CHRNA4PCSK9PPARAAOC3
SCHEMBL12404673 0.80 PPARA (0.46) PIK3CDPCSK9PPARAAOC3PTGS2
SCHEMBL2611132 0.79 NR1H3 (0.45) MEN1KMT2APPARAAOC3NOTUM
SCHEMBL31642358 0.79 AOC3 (0.42) CHRNB2CHRNA4PCSK9PPARACYP2A6
SCHEMBL12331975 0.74 PPARA (0.37) PCSK9PPARAAOC3
SCHEMBL2611130 0.74 CHRNB2 (0.42) CHRNB2CHRNA4PIK3CDMEN1KMT2A
SCHEMBL20031404 0.73 PPARA (0.39) PCSK9PPARAAOC3
SCHEMBL15885947 0.73 KEAP1 (0.52) CHRNB2CHRNA4PIK3CDMEN1KMT2A
SCHEMBL21408699 0.73 PPARA (0.46) PCSK9PPARAAOC3
SCHEMBL15885979 0.72 CHRNB2 (0.41) CHRNB2CHRNA4PIK3CDMEN1KMT2A

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 29 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
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
EP-2630133-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-08-28 EP disclosed
WO-2012052412-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-04-26 WO disclosed
US-8101550-B2 Anthranilic acid diamide derivative with hetero-aromatic and hetero-cyclic substituents BAYER CROPSCIENCE AG (DE) 2012-01-24 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
EP-2260031-A1 COMPOUNDS THAT ARE ERK INHIBITORS Schering Corporation (US) 2010-12-15 EP disclosed
US-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-04 US 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 (6 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 CHRNB2 4815/4885CHRNA4 4844/4885PIK3CD 1620/4885
US-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 CHRNB2 4815/4885CHRNA4 4844/4885PIK3CD 1620/4885
US-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS DDT, ANTXR2, QDPR CHRNB2 2371/4885CHRNA4 1339/4885PIK3CD 1211/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 CHRNB2 4641/4885CHRNA4 4810/4885PIK3CD 164/4885
US-20130261141-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CHRNB2 1073/4885CHRNA4 1068/4885PIK3CD 1981/4885
US-20180207132-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 CHRNB2 4815/4885CHRNA4 4844/4885PIK3CD 1620/4885

“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.