SCHEMBL1369393

SCHEMBL1369393

C[C@@H](NC(=O)c1c[nH]c2ncc(-c3ccccn3)nc12)C(C)(C)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.63
JAK1 P23458 12/20 0.63
JAK3 P52333 12/20 0.63
SYK P43405 6/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 2/20 0.44

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
SCHEMBL1370096 0.93 JAK2 (0.62) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1368796 0.82 JAK3 (0.61) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1368698 0.82 JAK3 (0.61) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1368992 0.82 JAK3 (0.61) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1368895 0.81 JAK2 (0.63) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1370759 0.81 JAK3 (0.63) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1635168 0.81 JAK3 (0.51) JAK3SYKCYP2D6
SCHEMBL12148000 0.81 JAK3 (0.60) JAK2JAK1JAK3SYKCYP2C9
Hydrochloric Acid SCHEMBL1369062 0.81 JAK3 (0.60) JAK2JAK1JAK3SYKCYP2C9
Hydrochloric Acid SCHEMBL1370272 0.80 JAK3 (0.62) 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.