SCHEMBL16477540

SCHEMBL16477540

C[Si](C)(C)CCOCn1ccc2c(NC3CCCCC3)ccnc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT5B Q4FZB7 2/20 0.38
KMT5C Q86Y97 2/20 0.38
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL22252850 0.82 NT5E (0.39) KMT5BKMT5CADORA2AADORA2BCDK1
SCHEMBL31343157 0.82 NT5E (0.39) KMT5BKMT5CADORA2AADORA2BCDK1
SCHEMBL22252737 0.81 NT5E (0.40) KMT5BKMT5CADORA2AADORA2BKDM4E
SCHEMBL31343217 0.81 NT5E (0.40) KMT5BKMT5CADORA2AADORA2BKDM4E
SCHEMBL99396 0.81 DGAT1 (0.33)
SCHEMBL14697556 0.81 TBK1 (0.38) CCNB2CDK1CCNB1CCNB3
SCHEMBL16477538 0.81 PDE10A (0.35) KDM4EALDH1A1MEN1KMT2A
SCHEMBL22252735 0.79 NT5E (0.38) KMT5BKMT5CADORA2AADORA2B
SCHEMBL31343259 0.79 NT5E (0.38) KMT5BKMT5CADORA2AADORA2B
SCHEMBL21858994 0.79 TBK1 (0.36)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 KMT5B 1265/4885KMT5C 1399/4885ADORA2A 1935/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 KMT5B 2182/4885KMT5C 2001/4885ADORA2A 301/4885

“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.