SCHEMBL2275446

SCHEMBL2275446

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(CNCC4CCCCC4)c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.53
MAP4K4 O95819 3/20 0.44
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
PDPK1 O15530 1/20 0.41
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
GSK3A P49840 1/20 0.39
SYK P43405 2/20 0.38
CYP2D6 P10635 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2282951 0.84 JAK3 (0.53) JAK3SYKCYP2D6JAK2JAK1
SCHEMBL2275442 0.83 JAK3 (0.53) JAK3MAP4K4SYKCYP2D6JAK2
SCHEMBL2278142 0.83 JAK3 (0.54) JAK3SYKCYP2D6
SCHEMBL3394351 0.82 JAK3 (0.51) JAK3SYKCYP2D6
SCHEMBL2276633 0.82 JAK3 (0.58) JAK3SYKCYP2D6JAK2JAK1
SCHEMBL1634076 0.82 JAK3 (0.58) JAK3SYKCYP2D6JAK2JAK1
SCHEMBL2279840 0.81 JAK3 (0.58) JAK3SYKCYP2D6JAK2JAK1
SCHEMBL2280094 0.81 JAK3 (0.52) JAK3SYKCYP2D6CYP2C9
SCHEMBL2275335 0.81 JAK3 (0.58) JAK3SYKCYP2D6JAK2JAK1
SCHEMBL2275447 0.80 JAK3 (0.51) JAK3LDHALDHBSYKCYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 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 (1 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 JAK3 7/4885MAP4K4 587/4885LDHA 4626/4885

“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.