SCHEMBL14738705

SCHEMBL14738705

CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC4CC4)c4cc(Cl)ccc34)nc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.47
KDM4C Q9H3R0 2/20 0.39
JAK2 O60674 6/20 0.39
JAK1 P23458 6/20 0.39
JAK3 P52333 5/20 0.39
TYK2 P29597 1/20 0.39
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
DGAT1 O75907 1/20 0.34
NR3C1 P04150 1/20 0.33
GUCY1A1 Q02108 3/20 0.33
GUCY1B1 Q02153 3/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL14738419 0.91 SYK (0.49) SYKKDM4CJAK2JAK1JAK3
SCHEMBL14737931 0.88 SYK (0.47) SYKJAK2JAK1JAK3TYK2
SCHEMBL14737801 0.88 SYK (0.45) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738185 0.88 SYK (0.60) SYKJAK2JAK1JAK3TYK2
SCHEMBL14737973 0.87 SYK (0.45) SYKJAK2JAK1JAK3TYK2
SCHEMBL14737732 0.86 SYK (0.46) SYKJAK2JAK1JAK3TYK2
SCHEMBL14751190 0.85 SYK (0.52) SYKJAK2JAK1JAK3TYK2
SCHEMBL14738528 0.84 SYK (0.47) SYKJAK2JAK1JAK3TYK2
SCHEMBL14751100 0.84 JAK2 (0.47) SYKJAK2JAK1JAK3TYK2
SCHEMBL14751250 0.84 SYK (0.54) SYKJAK2JAK1JAK3TYK2

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 11 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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 SYK 1/4885KDM4C 1619/4885JAK2 5/4885

“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.