SCHEMBL2276332

SCHEMBL2276332

CCCNC(=O)c1c[nH]c2ncc(-c3cccc(S(C)(=O)=O)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.52
ATR Q13535 2/20 0.46
PRKDC P78527 1/20 0.46
ATM Q13315 1/20 0.46
CAMKK2 Q96RR4 2/20 0.43
JAK3 P52333 4/20 0.43
CYP2C9 P11712 1/20 0.43
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
CYP2D6 P10635 1/20 0.41
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL1370461 0.85 SYK (0.47) SYKJAK3CYP2C9CYP2D6MAPK1
SCHEMBL2282227 0.85 SYK (0.46) SYKJAK3CYP2C9CYP2D6MAPK1
SCHEMBL2282970 0.84 CDK8 (0.47) SYKJAK3CYP2C9CYP2D6MAPK1
SCHEMBL2276326 0.84 SYK (0.61) SYKATRPRKDCATMCAMKK2
SCHEMBL2282305 0.84 SYK (0.45) SYKJAK3CYP2C9CYP2D6MAPK1
SCHEMBL2282413 0.83 JAK3 (0.47) SYKATRJAK3CYP2C9CYP2D6
SCHEMBL2277244 0.83 SYK (0.51) SYKATRPRKDCJAK3CYP2C9
SCHEMBL2278001 0.82 SYK (0.47) SYKJAK3CYP2C9CYP2D6MAPK1
SCHEMBL3396011 0.81 JAK3 (0.47) SYKJAK3CYP2C9CYP2D6MAPK1
SCHEMBL2275187 0.79 ATR (0.48) SYKATRJAK3CYP2C9JAK2

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 8 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 SYK 1/4885ATR 959/4885PRKDC 153/4885

“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.