SCHEMBL10112918

SCHEMBL10112918

C=C(C)C(=O)c1c[nH]c2ncc(C(O)c3ccccc3C)nc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.43
JAK2 O60674 12/20 0.43
JAK1 P23458 12/20 0.43
SYK P43405 6/20 0.36

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
SCHEMBL650436 0.84 JAK3 (0.44) JAK3JAK2JAK1SYK
SCHEMBL16948993 0.74 MAPK1 (0.49) JAK3JAK2JAK1SYK
SCHEMBL16948771 0.70 SYK (0.47) JAK3JAK2JAK1SYK
SCHEMBL16948770 0.69 JAK3 (0.48) JAK3JAK2JAK1SYK
SCHEMBL651640 0.69 SYK (0.44) JAK3JAK2JAK1SYK
SCHEMBL12673162 0.69 PBRM1 (0.42) SYK
SCHEMBL12402514 0.65 CDK8 (0.43) JAK3JAK2JAK1SYK
SCHEMBL12672910 0.65 KDM4E (0.38) JAK3JAK2JAK1SYK
SCHEMBL16949171 0.65 JAK3 (0.41) JAK3JAK2JAK1SYK
SCHEMBL4087542 0.64 SMN1; SMN2 (0.46)

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-8119636-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2012-02-21 US disclosed
US-20090215785-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-20090215785-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 4/4885

“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.