SCHEMBL3058703

SCHEMBL3058703

COc1cccc(-c2cnc3[nH]cc(C(=O)C4(C)CCCCC4)c3n2)c1.COc1cccc(-c2cnc3[nH]cc(C(=O)C4(C)CCCCC4)c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
CYP2C9 P11712 1/20 0.47
JAK3 P52333 8/20 0.43
TYRO3 Q06418 1/20 0.43
NEK1 Q96PY6 1/20 0.43
PRKDC P78527 1/20 0.43
ATR Q13535 1/20 0.43
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
PLCG1 P19174 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NEK2 P51955 1/20 0.40
MAPK1 P28482 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL2280973 1.00 SYK (0.47) SYKCYP2C9JAK3TYRO3NEK1
SCHEMBL2276425 0.87 JAK3 (0.42) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL12372625 0.86 JAK3 (0.41) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2282990 0.86 JAK3 (0.42) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2275097 0.85 JAK3 (0.48) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2275692 0.84 SYK (0.67) SYKCYP2C9JAK3NEK1JAK2
SCHEMBL2275696 0.84 JAK3 (0.40) SYKCYP2C9JAK3JAK2JAK1
SCHEMBL2275354 0.84 JAK3 (0.40) SYKCYP2C9JAK3ATRJAK2
SCHEMBL2275232 0.84 JAK3 (0.40) SYKCYP2C9JAK3ATRJAK2
SCHEMBL2281236 0.83 SYK (0.68) SYKCYP2C9JAK3NEK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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 1/4885CYP2C9 3511/4885JAK3 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.