SCHEMBL650819

SCHEMBL650819

CCCNC(=O)c1c[nH]c2ncc(C(C)C)nc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.47
JAK2 O60674 13/20 0.47
JAK1 P23458 13/20 0.47
SYK P43405 3/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL18733454 0.84 JAK3 (0.52) JAK3JAK2JAK1SYK
SCHEMBL18732873 0.83 JAK3 (0.51) JAK3JAK2JAK1SYK
SCHEMBL649678 0.82 JAK3 (0.46) JAK3JAK2JAK1SYK
SCHEMBL650183 0.82 JAK3 (0.65) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL14795128 0.80 JAK2 (0.46) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL650612 0.79 JAK3 (0.46) JAK3JAK2JAK1SYK
SCHEMBL18720800 0.79 TYRO3 (0.50)
SCHEMBL16797942 0.79 JAK2 (0.45) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL18720782 0.78 P2RX3 (0.41) JAK3JAK2JAK1SYK
SCHEMBL18720827 0.78 JAK3 (0.42) JAK3JAK2JAK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US claimed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO claimed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US claimed
EP-2247593-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-10 EP claimed
EP-2247593-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106444-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
US-20170100396-A1 PYRROLOPYRAZINE DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA HOFFMANN LA ROCHE (CH) 2017-04-13 US disclosed
WO-2017060470-A1 PYRROLOPYRAZINE DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 WO disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US 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
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
EP-2247593-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2247593-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106444-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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 (4 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 5/4885
US-20170100396-A1 PYRROLOPYRAZINE DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA IDO1, PYGL, PRNP JAK3 1352/4885JAK2 2525/4885JAK1 1679/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 5/4885
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 4/4885

“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.