SCHEMBL12401317

SCHEMBL12401317

OC[C@@H]1CCCN1c1cccc(-c2cnc3[nH]ccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.48
RIPK1 Q13546 1/20 0.44
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
JAK2 O60674 5/20 0.41
JAK3 P52333 4/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
JAK1 P23458 2/20 0.40
SYK P43405 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 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
SCHEMBL28041187 0.79 SYK (0.47) MAPK1JAK2JAK3IRAK4SYK
SCHEMBL12401437 0.78 MAPK1 (0.59) MAPK1RIPK1ALOX5APFEN1
SCHEMBL2277443 0.76 JAK3 (0.51) JAK3IRAK4SYK
SCHEMBL2277435 0.76 JAK3 (0.51) JAK3IRAK4SYK
SCHEMBL2277592 0.76 JAK3 (0.51) JAK3IRAK4SYK
SCHEMBL3398616 0.74 JAK3 (0.38) MAPK1JAK2JAK3IRAK4SYK
SCHEMBL3396337 0.74 JAK3 (0.38) MAPK1JAK2JAK3IRAK4SYK
SCHEMBL27931478 0.74 IRAK4 (0.51) IRAK4SYKMKNK1MKNK2
SCHEMBL12372228 0.71 MAPK1 (0.48) MAPK1RIPK1ALOX5APFEN1JAK2
SCHEMBL12372627 0.69 MAPK1 (0.51) MAPK1RIPK1ALOX5APFEN1JAK2

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 MAPK1 386/4885RIPK1 252/4885ALOX5AP 1321/4885

“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.