SCHEMBL1368546

SCHEMBL1368546

CC(C)c1cnc2[nH]cc(C(=O)N[C@@H](C)C(C)(C)O)c2n1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.69
JAK2 O60674 17/20 0.69
JAK1 P23458 17/20 0.69
SYK P43405 2/20 0.46
CYP2C9 P11712 1/20 0.45

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
SCHEMBL18733294 1.00 JAK3 (0.69) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL650183 0.86 JAK3 (0.65) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL12148031 0.85 JAK3 (0.51) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL12148293 0.82 JAK3 (0.49) JAK3JAK2JAK1SYK
SCHEMBL1368570 0.82 JAK2 (0.65) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1368223 0.82 JAK3 (0.65) JAK3JAK2JAK1SYKCYP2C9
SCHEMBL1368178 0.81 JAK1 (1.00) JAK3JAK2JAK1
SCHEMBL1370779 0.81 JAK1 (1.00) JAK3JAK2JAK1
SCHEMBL18733454 0.81 JAK3 (0.52) JAK3JAK2JAK1SYK
SCHEMBL1371295 0.80 JAK1 (0.92) JAK3JAK2JAK1

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 6 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
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 JAK3 7/4885JAK2 3/4885JAK1 5/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK3 7/4885JAK2 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.