SCHEMBL651340

SCHEMBL651340

CC(C)(C)C(=O)c1c[nH]c2ncc(Br)nc12

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
JAK3 P52333 16/20 0.47
SYK P43405 3/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL12372398 0.85 MAPK1 (0.44) MAPK1JAK3SYKJAK2JAK1
SCHEMBL2281069 0.84 JAK3 (0.47) JAK3SYKJAK2JAK1
SCHEMBL14737008 0.83 SYK (0.61) SYK
SCHEMBL652080 0.82 JAK3 (0.47) JAK3SYKJAK2JAK1
SCHEMBL12402568 0.82 JAK3 (0.47) JAK3SYKJAK2JAK1
SCHEMBL2344126 0.82 JAK3 (0.49) JAK3SYKJAK2JAK1
SCHEMBL2274744 0.82 MAPK1 (0.42) MAPK1JAK3SYKJAK2JAK1
SCHEMBL14655543 0.81 MAPK1 (0.56) MAPK1JAK3SYKJAK2JAK1
SCHEMBL31070091 0.81 MAPK1 (0.56) MAPK1JAK3SYKJAK2JAK1
SCHEMBL651335 0.81 JAK3 (0.46) JAK3SYK

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 64 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
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
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
US-9676778-B2 Substituted pyrrolo[2,3-b]pyrazines as JAK3 inhibitors PRINCIPIA BIOPHARMA INC. (US) 2017-06-13 US disclosed
EP-2922538-B1 AZAINDOLE DERIVATIVES AS JAK3 INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2016-10-19 EP disclosed
US-9187487-B2 Azaindole derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2015-11-17 US disclosed
US-20150291600-A1 AZAINDOLE DERIVATIVES AS JAK3 INHIBITORS PRINCIPIA BIOPHARMA INC. 2015-10-15 US disclosed
EP-2922538-A1 AZAINDOLE DERIVATIVES AS JAK3 INHIBITORS Principia Biopharma Inc. (US) 2015-09-30 EP disclosed
WO-2014081732-A1 AZAINDOLE DERIVATIVES AS JAK3 INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-05-30 WO disclosed
US-20140073626-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS Principia Biopharma (US) 2014-03-13 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-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 (6 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-20140073626-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, ITK MAPK1 559/4885JAK3 4/4885SYK 43/4885
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 MAPK1 431/4885JAK3 7/4885SYK 1/4885
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 MAPK1 431/4885JAK3 7/4885SYK 1/4885
US-20150291600-A1 AZAINDOLE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 MAPK1 663/4885JAK3 1/4885SYK 130/4885
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK1 MAPK1 376/4885JAK3 7/4885SYK 1/4885
US-20090215785-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 MAPK1 431/4885JAK3 7/4885SYK 1/4885

“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.