SCHEMBL1891547

SCHEMBL1891547

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccnc(Cl)c3)nc12.CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccnc(N4CC[S+]([O-])CC4)c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.42
SYK P43405 4/20 0.36
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.34
CYP2C9 P11712 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL1890842 0.95 JAK3 (0.46) JAK3SYKKCNH2CYP2C9
SCHEMBL1892873 0.85 JAK3 (0.49) JAK3SYKMAPK1KCNH2CYP2C9
SCHEMBL1890511 0.85 JAK3 (0.53) JAK3SYKMAPK1CYP2C9
SCHEMBL1892369 0.84 JAK3 (0.48) JAK3SYKKCNH2CYP2C9
SCHEMBL1893820 0.84 JAK3 (0.48) JAK3SYKKCNH2CYP2C9
SCHEMBL1894973 0.83 JAK3 (0.47) JAK3SYKKCNH2CYP2C9
SCHEMBL1892554 0.83 JAK3 (0.49) JAK3SYKKCNH2
SCHEMBL1893271 0.82 JAK3 (0.46) JAK3
SCHEMBL1888859 0.82 JAK3 (0.46) JAK3SYKKCNH2CYP2C9
SCHEMBL2281665 0.81 JAK3 (0.51) JAK3SYKMAPK1KCNH2CYP2C9

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
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-20090215750-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 (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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885SYK 1/4885MAPK1 431/4885

“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.