SCHEMBL14737851

SCHEMBL14737851

Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2cc(C3CC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.41
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
SYK P43405 5/20 0.35
KLKB1 P03952 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
EGLN1 Q9GZT9 2/20 0.32
CYP2C9 P11712 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL14738715 0.88 SYK (0.41) DGAT1JAK2JAK1JAK3SYK
SCHEMBL14751264 0.88 JAK2 (0.41) DGAT1JAK2JAK1JAK3SYK
SCHEMBL14737636 0.87 SYK (0.40) DGAT1JAK2JAK1JAK3SYK
SCHEMBL14737251 0.86 DGAT1 (0.38) DGAT1JAK2JAK1JAK3SYK
SCHEMBL14747074 0.85 JAK2 (0.36) DGAT1JAK2JAK1JAK3SYK
SCHEMBL14738585 0.85 SYK (0.50) DGAT1SYKCYP2C9
SCHEMBL14737803 0.84 SYK (0.37) DGAT1JAK2JAK1SYKKLKB1
SCHEMBL14737296 0.84 SYK (0.35) DGAT1SYKCYP2C9
SCHEMBL14737410 0.83 SYK (0.48) DGAT1JAK2JAK1JAK3SYK
SCHEMBL14737345 0.83 SYK (0.46) DGAT1JAK2JAK1JAK3SYK

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 DGAT1 4426/4885JAK2 5/4885JAK1 3/4885

“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.