SCHEMBL2279424

SCHEMBL2279424

CC(C)CC(=O)c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.51
MAP4K1 Q92918 2/20 0.50
CYP3A4 P08684 1/20 0.50
FYN P06241 2/20 0.49
SYK P43405 3/20 0.44
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.41
TNIK Q9UKE5 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IGF1R P08069 2/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 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
SCHEMBL2275777 0.88 LDHB (0.50) JAK3FYNSYKCYP2C9MAPK1
SCHEMBL2282266 0.87 CDK8 (0.47) JAK3CYP3A4FYNSYKCYP2C9
SCHEMBL2274537 0.85 SYK (0.48) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2276900 0.80 JAK3 (0.44) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2280574 0.79 MAPK1 (0.50) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL2280589 0.78 SYK (0.71) JAK3MAP4K1SYKCYP2C9MAPK1
SCHEMBL1634965 0.76 SYK (0.46) JAK3SYKCYP2C9MAPK1JAK2
SCHEMBL1635639 0.76 SYK (0.46) JAK3SYKCYP2C9JAK2JAK1
SCHEMBL2278382 0.76 SYK (0.74) JAK3FYNSYKCYP2C9JAK2
SCHEMBL2349648 0.75 JAK3 (0.47) JAK3MAP4K1CYP3A4FYNSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
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
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US 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 JAK3 7/4885MAP4K1 462/4885CYP3A4 2784/4885

“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.