SCHEMBL14737201

SCHEMBL14737201

COC(=O)c1cn(COC(=O)C(C)(C)C)c2ncc(-c3nn(C)c4cc(C(F)(F)F)ccc34)nc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.41
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
CYP2C9 P11712 1/20 0.36
ADORA2A P29274 1/20 0.36
SCN9A Q15858 1/20 0.35
CFTR P13569 1/20 0.34
CYP2D6 P10635 1/20 0.33
NR3C1 P04150 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
SCHEMBL14738009 0.94 SYK (0.40) SYKCYP2C9SCN9ACFTRCYP2D6
SCHEMBL14746309 0.92 SYK (0.41) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14738001 0.91 SYK (0.51) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14737596 0.90 SYK (0.42) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14739523 0.87 SYK (0.38) SYKJAK2JAK1JAK3
SCHEMBL14746784 0.86 SYK (0.40) SYKCYP2C9ADORA2ASCN9ANR3C1
SCHEMBL14737253 0.85 SYK (0.43) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14737735 0.83 SYK (0.55) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14738404 0.83 SYK (0.51) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14738583 0.82 SYK (0.40) SYKJAK2JAK1JAK3CYP2C9

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 10 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-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 1/4885JAK2 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.