SCHEMBL1368612

SCHEMBL1368612

CC(C)(CO)NC(=O)c1c[nH]c2ncc(C3CC3)nc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.66
JAK1 P23458 15/20 0.66
JAK3 P52333 15/20 0.66
SYK P43405 5/20 0.58
CYP2D6 P10635 1/20 0.54
TYK2 P29597 1/20 0.53

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
SCHEMBL1369509 0.92 JAK3 (0.65) JAK2JAK1JAK3SYKTYK2
SCHEMBL1370213 0.88 JAK3 (0.71) JAK2JAK1JAK3SYKTYK2
SCHEMBL1368333 0.87 JAK1 (0.67) JAK2JAK1JAK3TYK2
SCHEMBL1369532 0.86 JAK1 (0.71) JAK2JAK1JAK3SYKTYK2
SCHEMBL25965966 0.86 JAK1 (0.69) JAK2JAK1JAK3SYKTYK2
SCHEMBL1369481 0.84 JAK3 (0.64) JAK2JAK1JAK3TYK2
SCHEMBL1371326 0.84 JAK1 (0.82) JAK2JAK1JAK3TYK2
SCHEMBL1368203 0.83 JAK3 (0.67) JAK2JAK1JAK3TYK2
SCHEMBL1368539 0.83 JAK3 (0.61) JAK2JAK1JAK3TYK2
SCHEMBL1696914 0.82 JAK1 (0.64) JAK2JAK1JAK3TYK2

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 10 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-20230248723-A1 PYRROLO[2,3-B]PYRAZINE COMPOUNDS AS CCCDNA INHIBITORS FOR THE TREATMENT OF HEPATITIS B VIRUS (HBV) INFECTION HOFFMANN-LA ROCHE INC. 2023-08-10 US disclosed
US-20230248723-A1 PYRROLO[2,3-B]PYRAZINE COMPOUNDS AS CCCDNA INHIBITORS FOR THE TREATMENT OF HEPATITIS B VIRUS (HBV) INFECTION HOFFMANN-LA ROCHE INC. 2023-08-10 US disclosed
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
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 (3 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-20230248723-A1 PYRROLO[2,3-B]PYRAZINE COMPOUNDS AS CCCDNA INHIBITORS FOR THE TREATMENT OF HEPATITIS B VIRUS (HBV) INFECTION HCCS, PCNA, DNMT1 JAK2 662/4885JAK1 870/4885JAK3 775/4885
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.