SCHEMBL12372271

SCHEMBL12372271

COc1ccc(-c2cnc3[nH]cc(C(=O)C4CCN(C(=O)OC(C)(C)C)C4)c3n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.51
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 2/20 0.47
PIK3CG P48736 2/20 0.47
MAP4K1 Q92918 1/20 0.47
STK17B O94768 3/20 0.46
STK17A Q9UEE5 1/20 0.46
NEK2 P51955 1/20 0.44
CYP2C9 P11712 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
AAK1 Q2M2I8 2/20 0.44
STS P08842 1/20 0.43
MMP13 P45452 1/20 0.42
PDE4B Q07343 1/20 0.42
KDM5B Q9UGL1 1/20 0.41
CFTR P13569 3/20 0.41
MAP3K11 Q16584 1/20 0.41

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
SCHEMBL2279442 0.92 SYK (0.54) SYKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12372272 0.79 SYK (0.58) SYKMAP4K1STK17BSTK17ANEK2
SCHEMBL18129547 0.78 MAP4K1 (0.51) SYKMAP4K1STK17BSTK17AJAK1
SCHEMBL2276167 0.78 SYK (0.55) SYKCYP2C9JAK2JAK1JAK3
SCHEMBL2274828 0.76 SYK (0.57) SYKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2278062 0.76 SYK (0.66) SYKMAP4K1STK17BSTK17ACYP2C9
SCHEMBL2276876 0.76 SYK (0.59) SYKMAP4K1NEK2CYP2C9JAK2
SCHEMBL2277395 0.75 SYK (0.65) SYKPIK3CAMAP4K1STK17BSTK17A
SCHEMBL2282760 0.74 SYK (0.69) SYKMAP4K1NEK2CYP2C9AAK1
SCHEMBL2276549 0.74 SYK (0.69) SYKPIK3CAMAP4K1STK17BSTK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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 SYK 1/4885PIK3CD 163/4885PIK3CA 293/4885

“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.