SCHEMBL12372550

SCHEMBL12372550

CCOC(=N)c1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.54
SYK P43405 4/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.40
JAK2 O60674 3/20 0.39

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
SCHEMBL12400317 0.89 JAK3 (0.51) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL2275295 0.85 JAK3 (0.57) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL2277585 0.84 JAK3 (0.60) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL2278622 0.84 JAK3 (0.56) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL2343901 0.83 JAK3 (0.59) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL27801753 0.83 JAK3 (0.51) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL2272897 0.83 JAK3 (0.57) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL1634076 0.83 JAK3 (0.58) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL2276701 0.83 JAK3 (0.58) JAK3SYKCYP2D6CYP2C9MAPK1
SCHEMBL2278115 0.83 JAK3 (0.58) JAK3SYKCYP2D6CYP2C9MAPK1

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 2 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-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 7/4885SYK 1/4885CYP2D6 2287/4885

“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.