SCHEMBL650177

SCHEMBL650177

C#Cc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.47

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
SCHEMBL652080 0.83 JAK3 (0.47) JAK3
SCHEMBL2281069 0.81 JAK3 (0.47) JAK3
SCHEMBL12402568 0.80 JAK3 (0.47) JAK3
SCHEMBL2344126 0.80 JAK3 (0.49) JAK3
SCHEMBL651340 0.80 MAPK1 (0.50) JAK3
SCHEMBL27821330 0.79 JAK3 (0.46) JAK3
SCHEMBL651335 0.79 JAK3 (0.46) JAK3
SCHEMBL12450334 0.78 JAK3 (0.60) JAK3
SCHEMBL2344123 0.78 JAK3 (0.50) JAK3
SCHEMBL650562 0.78 JAK3 (0.47) JAK3

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US claimed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 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
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US 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
EP-2013196-A2 DISUBSTITUTED ANILINE COMPOUNDS Merck & Co., Inc. (US) 2009-01-14 EP claimed
WO-2007127137-A2 DISUBSTITUTED ANILINE COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 WO claimed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US 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 (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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885
US-20090221669-A1 Disubstituted Aniline Compounds TXNRD2, BRDT, HDAC1 JAK3 2879/4885
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 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.