SCHEMBL2352879

SCHEMBL2352879

c1ccc(Cc2cnc3[nH]nnc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HTR2B P41595 2/20 0.39
AURKA O14965 2/20 0.38
DAPK3 O43293 2/20 0.38
JAK2 O60674 2/20 0.38
ROCK2 O75116 2/20 0.38
CDK1 P06493 2/20 0.38
PRKACA P17612 2/20 0.38
CDK2 P24941 2/20 0.38
MARK3 P27448 2/20 0.38
MAPK1 P28482 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CDK5 Q00535 2/20 0.38
ROCK1 Q13464 2/20 0.38
DYRK1A Q13627 2/20 0.38
CDC42BPA Q5VT25 2/20 0.38
AURKB Q96GD4 2/20 0.38
CDC7 O00311 1/20 0.38

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
SCHEMBL23544590 0.76
SCHEMBL7223482 0.74 ALDH1A1 (0.42) HTR2BAURKADAPK3JAK2ROCK2
SCHEMBL29159116 0.72 MAPK1 (0.50) MAPK1ALDH1A1KDRFLT3
SCHEMBL27072915 0.69 CALM1 (0.55) HTR2BALDH1A1AOC3TAAR1HRH3
SCHEMBL3992249 0.67 PDE10A (0.64) ALDH1A1LMNACALM1
SCHEMBL21851670 0.67 KDM4E (0.45) MAPK1PIM1ALDH1A1LMNA
SCHEMBL4434815 0.66 CALM1 (0.41) TLR8TLR7HTR2BALDH1A1BRD4
SCHEMBL7197160 0.66 TLR8 (0.43) TLR8TLR7HTR2BALDH1A1BRD4
SCHEMBL18763010 0.65 TP53 (0.46) TLR8TLR7HTR2BALDH1A1AOC3
SCHEMBL21981944 0.65 RET (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952295-B Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2013-11-20 CN disclosed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
CN-101952295-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 TLR8 2241/4885TLR7 564/4885HTR2B 3234/4885

“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.