SCHEMBL1899236

SCHEMBL1899236

CCC1(C(=O)c2c[nH]c3ncc(-c4csc(C(=O)N5CCOCC5)c4)nc23)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
HPGD P15428 1/20 0.35
JAK3 P52333 8/20 0.35
JAK2 O60674 5/20 0.35
JAK1 P23458 4/20 0.35
TYK2 P29597 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
SYK P43405 3/20 0.35
CYP2C9 P11712 2/20 0.35
CNR1 P21554 1/20 0.34
NTRK1 P04629 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MOK Q9UQ07 1/20 0.34
PLK4 O00444 1/20 0.33
MAP4K4 O95819 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
SCHEMBL1891072 0.90 HPGD (0.36) HPGDJAK3JAK2JAK1TYK2
SCHEMBL3425712 0.85 ALDH1A1 (0.42) CNR2HPGDJAK3JAK2JAK1
SCHEMBL1890929 0.81 JAK3 (0.37) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1896331 0.78 JAK3 (0.37) JAK3JAK2JAK1
SCHEMBL3433507 0.77 KDM4E (0.39) JAK3JAK2JAK1SYK
SCHEMBL3434618 0.77 PRKD1 (0.42) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1891154 0.76 NPC1 (0.43) HPGDJAK3JAK2JAK1SYK
SCHEMBL2354465 0.75 JAK3 (0.40) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1895336 0.75 LDHA (0.41) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL2361899 0.74 JAK3 (0.39) JAK3SYKCYP2C9KCNH2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CNR2 2937/4885HPGD 3098/4885JAK3 7/4885

“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.