SCHEMBL14737253

SCHEMBL14737253

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.43
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ADORA2A P29274 1/20 0.37
SCN9A Q15858 2/20 0.36
CYP2C9 P11712 1/20 0.36
CFTR P13569 1/20 0.35
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL18524438 0.91 SYK (0.42) SYKJAK2JAK1JAK3ADORA2A
SCHEMBL14737201 0.85 SYK (0.41) SYKJAK2JAK1JAK3ADORA2A
SCHEMBL14737255 0.84 SYK (0.43) SYKJAK2JAK1JAK3ADORA2A
SCHEMBL14738009 0.79 SYK (0.40) SYKSCN9ACYP2C9CFTRCYP2D6
SCHEMBL14746309 0.77 SYK (0.41) SYKJAK2JAK1JAK3ADORA2A
SCHEMBL14738001 0.75 SYK (0.51) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14737596 0.74 SYK (0.42) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14737520 0.71 SYK (0.64) SYKJAK2JAK1JAK3CYP2C9
SCHEMBL14739523 0.71 SYK (0.38) SYKJAK2JAK1JAK3KDM4E
SCHEMBL14737207 0.71 SYK (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.