SCHEMBL14738583

SCHEMBL14738583

COC(=O)c1cn(COC(=O)C(C)(C)C)c2ncc(-c3nn(C)c4ccc(S(C)(=O)=O)cc34)nc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.40
KCNH2 Q12809 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
CYP2C9 P11712 2/20 0.32
SIRT1 Q96EB6 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 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
SCHEMBL18524434 0.92 SYK (0.39) SYKKCNH2CYP2D6CYP2C9SIRT1
SCHEMBL14738009 0.87 SYK (0.40) SYKKCNH2CYP2D6CYP2C9LMNA
SCHEMBL14739523 0.86 SYK (0.38) SYKALDH1A1MEN1LMNAKMT2A
SCHEMBL14737735 0.86 SYK (0.55) SYKKCNH2CYP2D6CYP2C9JAK2
SCHEMBL14737596 0.84 SYK (0.42) SYKCYP2D6CYP2C9LMNAJAK2
SCHEMBL14738001 0.84 SYK (0.51) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL14737201 0.82 SYK (0.41) SYKCYP2D6CYP2C9JAK2JAK1
SCHEMBL14746784 0.79 SYK (0.40) SYKKCNH2ALDH1A1CYP2C9
SCHEMBL14738599 0.79 CA12 (0.32) MEN1LMNAKMT2APTGS2
SCHEMBL14746431 0.78 KDM4C (0.38) SYKALDH1A1MEN1KMT2AJAK2

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 9 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
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
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 1/4885KCNH2 3389/4885CYP2D6 2796/4885

“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.