SCHEMBL14738203

SCHEMBL14738203

C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(Cc4ccc(N5CCOCC5)nc4)c4cc(F)ccc34)cnc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.37
MAPK8 P45983 2/20 0.37
TDO2 P48775 1/20 0.35
JAK2 O60674 1/20 0.35
KLKB1 P03952 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
SYK P43405 5/20 0.33
MAPK1 P28482 1/20 0.33
CFTR P13569 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADORA2A P29274 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL14751251 0.90 MAPK1 (0.37) DGAT1MAPK8TDO2JAK2SYK
SCHEMBL14737778 0.87 KDM4C (0.43) SYKKDM4C
SCHEMBL14737950 0.86 GRIN2B (0.41) JAK2SYKKDM4C
SCHEMBL14737680 0.84 SYK (0.38) SYKKDM4C
SCHEMBL14751421 0.81 SYK (0.38) DGAT1JAK2SYKKDM4C
SCHEMBL14737345 0.81 SYK (0.46) DGAT1JAK2SYKKDM4C
SCHEMBL14738088 0.79 SYK (0.42) DGAT1JAK2KLKB1SYKKDM4C
SCHEMBL14738507 0.79 SYK (0.48) TDO2JAK2SYK
SCHEMBL14737753 0.79 KDM4C (0.38) JAK2SYKKDM4C
SCHEMBL14738309 0.78 SYK (0.45) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (1 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 DGAT1 4426/4885MAPK8 785/4885TDO2 1345/4885

“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.