SCHEMBL2274744

SCHEMBL2274744

C=CCC(C)(C)C(=O)c1c[nH]c2ncc(Br)nc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
JAK3 P52333 16/20 0.40
SYK P43405 3/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36

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
SCHEMBL651340 0.82 MAPK1 (0.50) MAPK1JAK3SYKJAK2JAK1
SCHEMBL649853 0.79 JAK3 (0.40) MAPK1JAK3SYKJAK2JAK1
SCHEMBL12372398 0.79 MAPK1 (0.44) MAPK1JAK3SYKJAK2JAK1
SCHEMBL2280590 0.77 JAK3 (0.40) MAPK1JAK3JAK2JAK1
SCHEMBL12372413 0.77 JAK3 (0.36) JAK3SYKJAK2JAK1
SCHEMBL2277040 0.76 SYK (0.62) JAK3SYKJAK2JAK1
SCHEMBL14737008 0.75 SYK (0.61) SYK
SCHEMBL14655543 0.73 MAPK1 (0.56) MAPK1JAK3SYKJAK2JAK1
SCHEMBL31070091 0.73 MAPK1 (0.56) MAPK1JAK3SYKJAK2JAK1
SCHEMBL1369911 0.73 MAPK1 (0.41) MAPK1JAK3SYKJAK2JAK1

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 9 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 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 MAPK1 386/4885JAK3 7/4885SYK 1/4885

“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.