SCHEMBL1891072

SCHEMBL1891072

CC1(C(=O)c2c[nH]c3ncc(-c4csc(C(=O)N5CCOCC5)c4)nc23)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
SYK P43405 2/20 0.36
CYP2C9 P11712 1/20 0.35
JAK3 P52333 9/20 0.35
NTRK1 P04629 2/20 0.35
MAPK1 P28482 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MOK Q9UQ07 1/20 0.34
JAK2 O60674 4/20 0.34
PLK4 O00444 1/20 0.34
MAP4K4 O95819 1/20 0.34
ROS1 P08922 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
MARK3 P27448 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
CLK2 P49760 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
SCHEMBL1890929 0.91 JAK3 (0.37) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1899236 0.90 CNR2 (0.35) HPGDSYKCYP2C9JAK3NTRK1
SCHEMBL1896331 0.87 JAK3 (0.37) JAK3JAK2JAK1
SCHEMBL1895336 0.85 LDHA (0.41) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1891154 0.85 NPC1 (0.43) HPGDSYKCYP2C9JAK3ALOX5AP
SCHEMBL12672869 0.82 SYK (0.40) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2276833 0.80 MAP3K11 (0.44) SYKNTRK1MAPK1JAK2KDR
SCHEMBL1889021 0.79 JAK3 (0.38) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL1895011 0.79 SYK (0.41) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2275100 0.79 ATR (0.47) SYKJAK3JAK2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US claimed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 HPGD 3098/4885SYK 1/4885CYP2C9 3642/4885

“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.