SCHEMBL12799403

SCHEMBL12799403

CN(c1cnc2[nH]ccc2n1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.53
JAK1 P23458 10/20 0.53
JAK2 O60674 7/20 0.52
MAPK1 P28482 3/20 0.44
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
AURKA O14965 1/20 0.41
PRKCA P17252 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL16249709 0.77 JAK1 (0.49) JAK3JAK1JAK2
SCHEMBL2376996 0.76 JAK3 (0.70) JAK3JAK1JAK2
SCHEMBL27855946 0.75 JAK3 (0.63) JAK3JAK1JAK2MAPK1
SCHEMBL415512 0.74 JAK3 (0.55) JAK3JAK1JAK2
SCHEMBL13746757 0.73 JAK3 (0.40) JAK3JAK1JAK2
SCHEMBL12799404 0.72 MAPK1 (0.47) JAK3JAK1JAK2MAPK1
SCHEMBL2105029 0.71 JAK3 (0.62) JAK3JAK1JAK2AURKAPRKCA
SCHEMBL30208780 0.71 ALOX5AP (0.52) JAK3JAK1JAK2MAPK1ALOX5AP
SCHEMBL30208814 0.71 ALOX5AP (0.55) JAK3JAK1JAK2MAPK1ALOX5AP
SCHEMBL2319051 0.71 JAK3 (0.51) JAK3JAK1JAK2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902197-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-03-08 US disclosed
US-7902197-B2 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-03-08 US disclosed
US-20090215788-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215788-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-20090215788-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 JAK3 7/4885JAK1 4/4885JAK2 3/4885

“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.