SCHEMBL2483997

SCHEMBL2483997

CCn1cc(-c2cnc3[nH]cc(C(=O)O)c3n2)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.58
JAK2 O60674 2/20 0.58
JAK1 P23458 2/20 0.58
JAK3 P52333 2/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
SYK P43405 4/20 0.51
ATR Q13535 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 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
SCHEMBL14655942 0.85 JAK3 (0.45) MAPK1JAK2JAK1JAK3KDM4E
SCHEMBL2484874 0.84 MAPK1 (0.56) MAPK1JAK2JAK1JAK3SYK
SCHEMBL1369859 0.82 JAK3 (0.63) MAPK1JAK2JAK1JAK3SYK
SCHEMBL1370244 0.79 JAK3 (0.64) MAPK1JAK2JAK1JAK3SYK
SCHEMBL14655948 0.78 PAK1 (0.47) JAK2JAK1JAK3
SCHEMBL1352558 0.77 JAK3 (0.54) MAPK1JAK2JAK1JAK3SYK
SCHEMBL21592449 0.77 MAPK1 (0.64) MAPK1JAK2JAK1JAK3SYK
SCHEMBL12332949 0.77 JAK3 (0.62) MAPK1JAK2JAK1JAK3SYK
SCHEMBL12299968 0.77 JAK3 (0.62) MAPK1JAK2JAK1JAK3SYK
SCHEMBL2378085 0.77 JAK3 (0.62) MAPK1JAK2JAK1JAK3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2571881-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP claimed
CN-103003281-A Pyrrolo [2, 3 - b] pyrazine - 7 - carboxamide derivatives and their use as jak and syk inhibitors HOFFMANN LA ROCHE 2013-03-27 CN claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
US-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US claimed
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 CN claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2571881-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
CN-103003281-A Pyrrolo [2, 3 - b] pyrazine - 7 - carboxamide derivatives and their use as jak and syk inhibitors HOFFMANN LA ROCHE 2013-03-27 CN disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
CN-102906095-A Pyrrolopyrazine derivatives as SYK and JAK inhibitors HOFFMANN LA ROCHE 2013-01-30 CN disclosed
US-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 CN disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 MAPK1 438/4885JAK2 3/4885JAK1 5/4885

“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.