SCHEMBL1369855

SCHEMBL1369855

C[C@@H](NC(=O)c1c[nH]c2ncc(C3=CCOCC3)nc12)C(C)(C)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.62
JAK1 P23458 16/20 0.62
JAK3 P52333 16/20 0.62
SYK P43405 4/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 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
SCHEMBL1369090 0.86 JAK2 (0.64) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1369492 0.85 JAK2 (0.63) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL14795077 0.80 MAPK1 (0.39) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1368178 0.77 JAK1 (1.00) JAK2JAK1JAK3
SCHEMBL1370779 0.77 JAK1 (1.00) JAK2JAK1JAK3
SCHEMBL1369134 0.77 JAK2 (0.64) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1370759 0.76 JAK3 (0.63) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1368895 0.76 JAK2 (0.63) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1369393 0.76 JAK2 (0.63) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1368546 0.76 JAK3 (0.69) JAK2JAK1JAK3SYKCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 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
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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 (2 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 JAK2 3/4885JAK1 5/4885JAK3 7/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK2 3/4885JAK1 5/4885JAK3 7/4885

“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.